data_2mr5_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 2mr5 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.53 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 63.42 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 74.52 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 73.41 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.41 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.54 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.32 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 74.4 109.366 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 70.22 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 74.04 111.234 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 74.43 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 71.32 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 70.42 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HZ2' ' HA ' ' A' ' 21' ' ' VAL . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 74.11 111.071 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 75.43 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 72.44 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.49 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 63.32 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 73.21 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 75.31 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.471 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 73.33 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 72.14 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 75.45 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 75.42 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 73.33 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.42 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 74.53 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 65.23 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 72.41 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.5 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 73.02 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 73.04 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 75.21 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' NH1' ' A' ' 52' ' ' ARG . 15.4 mm100 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 62.41 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 75.53 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 71.44 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 73.21 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 74.23 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 71.43 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 74.23 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.425 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 71.15 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 64.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.564 ' HA ' HD11 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 73.01 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 73.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 73.21 111.063 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 71.13 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 74.14 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 74.21 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 75.2 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.81 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 74.12 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 72.23 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.487 ' HG3' HE21 ' A' ' 89' ' ' GLN . 2.7 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 74.11 110.89 -176.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.487 HE21 ' HG3' ' A' ' 87' ' ' GLN . 49.3 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 70.04 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 64.23 110.707 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 74.22 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.81 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.22 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 63.35 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 73.23 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.526 ' HB3' ' HZ3' ' A' ' 100' ' ' LYS . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 60.01 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 75.21 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.44 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 75.41 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 75.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 73.34 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 63.1 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.642 ' HB2' HG23 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 75.35 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB3' ' HZ2' ' A' ' 117' ' ' LYS . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 74.43 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 73.34 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 74.14 110.353 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' HD23 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.296 0 CA-C-O 120.688 0.049 . . . . 62.1 113.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 73.42 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.437 HG22 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 75.33 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 70.23 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.624 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 72.54 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 72.52 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 74.31 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 75.32 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.31 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 75.25 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.24 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 72.12 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.629 HG13 HG21 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 71.12 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 72.3 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 73.22 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 HG21 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.588 HG22 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 65.15 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 72.44 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 75.32 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 71.21 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 62.11 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 71.54 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.34 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 74.04 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 71.31 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 74.53 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 70.03 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 74.24 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 73.53 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 71.13 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 74.51 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 73.54 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 73.51 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 71.32 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.471 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' HG3' HG23 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 74.34 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 75.45 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.4 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 74.51 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 53.05 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 74.25 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 75.14 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.523 ' NH2' HD23 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 73.42 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.523 HD23 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 75.35 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 73.34 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.624 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 73.1 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.51 ' HG2' HG13 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 62.45 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.571 HD22 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 72.22 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 73.43 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.677 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 74.15 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 64.1 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.54 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 73.44 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 73.31 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 74.54 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 74.34 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.5 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 74.14 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 72.53 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.42 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 74.13 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 72.3 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 74.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 73.32 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 75.53 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 62.53 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.21 110.08 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 112.005 -0.438 . . . . 61.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 74.5 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.63 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 73.1 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 72.03 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 71.13 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 74.13 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 74.54 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 71.4 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.14 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 75.03 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 75.05 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.54 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 73.45 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 75.04 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.627 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 75.03 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.555 HG23 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 64.22 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.43 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 75.55 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' HG12 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 72.31 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.607 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 74.4 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 74.21 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 74.04 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 72.45 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 74.43 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 73.41 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.54 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 74.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 72.31 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 71.13 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 74.5 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HG3' HG23 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 71.54 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 74.33 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 73.33 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 73.42 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.736 HG21 HG13 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 74.31 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 73.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 73.32 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.54 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 44.34 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.736 HG13 HG21 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 74.0 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.681 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.31 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 70.14 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HZ1' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.35 112.322 -167.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 73.52 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 61.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 74.34 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 75.12 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 75.11 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.587 ' HG ' ' HZ1' ' A' ' 84' ' ' LYS . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 75.43 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 65.42 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.599 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 73.42 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 73.33 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 73.25 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 63.22 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.681 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 74.03 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 75.23 109.935 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 74.32 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 74.45 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 71.0 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 75.41 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 74.53 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 74.22 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.5 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 63.11 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.545 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 75.24 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 74.42 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.437 HG23 HD23 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 71.21 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 74.13 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 73.33 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 71.43 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 70.54 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 65.33 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 75.11 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 74.15 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 72.33 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 75.23 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.13 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 65.13 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 73.22 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 73.14 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 63.25 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG23 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 75.33 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 74.53 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 74.31 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 74.23 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.624 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 74.34 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 74.4 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 65.04 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 71.15 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 72.21 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 73.34 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 63.23 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 70.2 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 73.41 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 75.24 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 74.14 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.678 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 65.55 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.522 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 62.13 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.522 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.43 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 74.01 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 72.03 112.297 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.51 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.624 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 74.24 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 75.32 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 74.45 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 64.14 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 75.43 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 74.31 107.267 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG23 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 73.14 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.635 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.727 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 74.33 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 75.12 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.42 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 74.23 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.55 110.456 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 74.21 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.54 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 71.05 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 73.14 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 75.22 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.776 ' HG3' HD12 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 74.21 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 64.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 74.02 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 74.32 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.727 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 74.4 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 73.42 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.21 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 74.22 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 73.32 110.8 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 70.03 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 73.31 111.761 177.722 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.33 0 N-CA-C 111.567 -0.613 . . . . 73.15 111.567 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.495 HG12 HD22 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 62.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 74.15 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.452 HG23 HD23 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 74.1 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.417 ' ND2' HE22 ' A' ' 89' ' ' GLN . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 75.02 110.873 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.481 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.481 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 74.52 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 75.5 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 74.12 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 74.42 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 73.32 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 63.4 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 72.34 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 52.1 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 74.22 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 75.3 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 74.22 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HE2' HG12 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 73.42 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 75.12 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 74.5 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 63.22 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 74.24 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 75.02 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 70.21 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 70.34 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 74.34 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 HG13 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 74.42 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 73.53 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 74.21 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 74.42 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 75.24 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 65.54 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.469 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 72.21 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 74.53 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 74.45 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 74.34 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 65.13 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 73.51 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 63.33 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 65.02 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 73.31 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.33 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 70.53 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.454 ' HB2' HE21 ' A' ' 89' ' ' GLN . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 75.41 109.974 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.44 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' A' ' 87' ' ' GLN . 43.0 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 75.24 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.495 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 72.2 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 73.12 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 ' HA ' HG22 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 75.52 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 64.21 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 73.35 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 73.54 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.452 HD23 HG23 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 75.33 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 73.04 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 74.04 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 75.25 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 73.32 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 75.4 109.591 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.46 0.238 0 N-CA-C 111.838 -0.505 . . . . 73.24 111.838 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 75.43 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 63.51 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 65.21 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 72.52 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.551 HG23 HG13 ' A' ' 58' ' ' ILE . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 73.11 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 74.32 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 75.22 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 74.41 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 73.12 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 72.4 109.984 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 74.41 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 72.23 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 72.53 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.711 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 74.22 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 74.43 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 73.12 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 72.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.55 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.711 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 74.13 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HE3' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 71.42 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 75.12 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.454 HG11 HD12 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.33 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 74.12 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.481 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 72.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 65.31 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.481 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 71.25 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 73.13 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 73.35 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 72.53 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 64.34 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 71.34 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 73.12 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 74.33 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 73.12 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 65.23 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 74.44 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' HG21 ' A' ' 70' ' ' VAL . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 74.14 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 72.41 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 73.23 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.788 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.3 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 72.21 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.53 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 73.01 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 71.02 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.47 HH12 HD12 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.15 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.788 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 74.33 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 71.43 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 75.41 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 73.23 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 73.0 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 75.53 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 74.44 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 75.41 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.477 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 75.12 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.604 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.562 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 72.33 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 73.34 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 74.33 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.604 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.22 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 60.41 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.562 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 74.51 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 75.32 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.602 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.44 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 64.13 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 74.34 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 72.11 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 74.44 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 73.44 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG21 HD22 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.605 HG21 ' HG3' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 75.51 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 72.22 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 71.22 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 61.5 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.31 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.593 HG11 HG23 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.42 111.593 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 75.14 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 62.13 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 74.51 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 73.14 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.13 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 HG21 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.443 HG23 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 72.11 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 74.13 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.481 ' HE2' HG11 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 74.24 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 74.12 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 73.42 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 73.21 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 74.31 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 73.11 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 29' ' ' VAL . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 75.23 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 74.44 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.605 ' HG3' HG21 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.3 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 71.33 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 75.33 110.834 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 72.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 72.53 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 74.33 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 71.43 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 75.02 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 73.5 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 74.43 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 74.25 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 73.41 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 73.41 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 74.21 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.446 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 74.24 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 74.14 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 85' ' ' VAL . 1.5 m120 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 70.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.14 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HZ3' ' HB3' ' A' ' 117' ' ' LYS . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 61.12 110.368 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 73.4 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 74.0 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 72.44 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 70.34 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 64.13 110.847 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 73.54 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.175 0 N-CA-C 111.002 -0.839 . . . . 72.02 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.566 HG21 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 73.01 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 74.34 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.24 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 73.02 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 73.41 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.403 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 72.03 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 74.24 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 71.2 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 71.12 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 72.24 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 75.32 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 75.11 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 73.04 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 73.45 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 73.1 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 65.23 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 72.0 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 74.04 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 73.1 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 18.2 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 75.14 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 74.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 74.42 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HA ' HG23 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 71.22 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 64.23 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 70.44 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 75.4 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 75.44 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 64.2 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 74.23 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 74.21 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 74.41 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 75.13 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 74.45 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 73.23 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 73.14 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 63.34 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 75.51 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 75.54 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 73.12 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 70.21 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 73.31 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.619 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 74.25 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 71.02 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 75.31 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 75.22 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 65.31 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 71.41 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.403 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 73.25 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 74.25 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 75.13 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 73.42 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 75.31 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA3' HG22 ' A' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 120.435 -0.092 . . . . 62.44 112.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 64.45 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 62.32 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 75.32 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 65.12 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 75.54 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.659 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 75.35 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.34 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 73.43 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.728 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 61.44 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.471 ' HA ' HD22 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 53.24 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 73.44 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.531 HG21 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 74.15 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 71.44 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG12 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 74.23 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.05 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 74.04 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.402 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 73.53 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 74.44 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.22 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.531 ' HD2' HG21 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 74.24 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.406 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 74.43 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 73.15 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.499 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.23 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 75.04 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 70.23 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.499 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.42 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 75.43 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 74.21 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 72.22 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 75.13 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG22 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 73.44 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 64.34 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.522 HE21 HG12 ' A' ' 70' ' ' VAL . 79.9 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 74.22 110.515 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 70.45 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.417 HG13 HG11 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 72.41 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 74.42 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 72.31 109.192 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 75.21 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 70.02 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 74.32 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 71.23 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 65.01 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 73.14 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 74.45 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 73.15 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 73.24 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 73.52 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 73.02 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 64.54 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 74.11 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.606 HG22 HG13 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.31 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.627 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 70.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.441 HG12 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 54.23 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.31 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 74.24 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 74.42 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.728 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 75.22 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.13 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 74.53 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 73.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 74.22 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 74.42 111.139 -174.447 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.559 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.468 HG12 HG21 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 74.43 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 63.21 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.424 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 63.01 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 73.42 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 75.34 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 75.33 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 71.23 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 73.44 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 72.21 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 73.44 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 73.4 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 75.33 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 74.44 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 74.14 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 75.41 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 71.43 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 75.25 110.733 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.31 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 70.21 109.614 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 73.44 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 65.12 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 65.02 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 72.34 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 73.1 111.621 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 75.25 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 75.13 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 72.43 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 74.24 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 72.34 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 72.24 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 74.33 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 73.42 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 73.22 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 55.44 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 74.13 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 73.44 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 73.52 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 73.3 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.53 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 70.13 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 75.11 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 62.14 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 72.51 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 60.5 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 75.23 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 75.32 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 74.01 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 74.15 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 63.4 108.745 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 73.3 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 74.34 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 75.44 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 70.45 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 75.43 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 74.55 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 72.04 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 HG23 HG11 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.467 HG13 HG21 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 75.34 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 70.13 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 64.23 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 72.25 113.016 169.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 72.32 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HZ1' ' HB3' ' A' ' 117' ' ' LYS . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 63.12 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.61 ' HD2' HG23 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.42 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 72.11 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 74.23 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.466 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 112.444 -0.262 . . . . 64.53 112.444 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 74.24 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 74.55 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.572 HD12 HG23 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.51 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 73.54 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 74.51 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 71.11 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 72.41 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 74.23 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 74.52 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.43 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 73.24 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 13' ' ' ARG . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 64.53 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 75.23 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 64.43 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.653 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 64.44 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 72.51 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 75.43 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 73.24 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 72.2 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 73.41 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 63.35 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 73.52 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 75.03 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' HG11 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 74.24 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 75.53 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 71.03 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 72.43 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 65.3 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 74.21 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 71.23 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 74.34 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 75.41 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.437 HG11 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 73.24 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 74.1 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 62.02 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 73.23 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 65.11 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.487 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 74.44 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.466 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 75.31 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.572 HG23 HD12 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 75.33 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 71.2 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 61.32 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 74.13 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 74.25 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 75.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 72.21 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 74.23 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 73.32 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.43 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 73.01 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.499 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.668 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.13 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 54.42 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 72.42 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.668 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 75.31 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 73.1 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 72.2 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 75.41 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.43 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 75.33 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 63.31 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 70.24 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.569 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 74.43 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.651 ' HG3' HG22 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 72.42 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.667 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 74.32 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 74.35 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 73.32 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 73.13 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.667 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 112.429 -0.268 . . . . 74.11 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.416 ' HB ' ' HA3' ' A' ' 127' ' ' GLY . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 72.25 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 HG21 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 73.23 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 74.12 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.481 HD21 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.2 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 71.21 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 72.21 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 71.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 65.45 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 73.32 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.31 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.1 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 71.13 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 73.3 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 64.01 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 74.05 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 65.11 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 74.14 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 74.21 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 74.55 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 75.22 111.444 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 64.54 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 64.33 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 64.25 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 75.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' HG11 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HG11 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 72.52 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 74.02 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 71.2 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 73.22 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 72.03 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 72.14 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB2' HG13 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 75.22 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 64.22 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 73.43 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 70.34 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 64.03 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 60.14 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 75.2 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 75.11 107.246 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 73.25 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.583 HG22 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.54 ' HZ1' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 73.52 111.448 -163.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.607 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.43 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.607 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 72.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 74.52 112.78 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.53 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.54 HD11 ' HZ1' ' A' ' 84' ' ' LYS . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 75.14 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 74.51 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 74.14 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 75.3 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 52.33 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 HG13 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 62.31 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.546 HG21 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.569 ' HG3' HD12 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 72.24 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.24 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 115' ' ' ALA . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 73.35 110.05 -175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 62.21 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 114' ' ' GLU . 31.4 t30 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.413 ' HB3' HD22 ' A' ' 111' ' ' ASN . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.53 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 74.11 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.618 ' HZ2' ' HB2' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 74.13 111.242 -177.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 73.14 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 75.23 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.442 HD12 HD12 ' A' ' 83' ' ' ILE . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.43 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 29' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 73.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 75.33 111.318 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 75.32 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.939 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.55 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 74.42 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.551 HD11 HG23 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 119' ' ' LEU . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 72.13 109.336 175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.572 HG22 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 75.12 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 71.52 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 72.3 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 73.24 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 74.11 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 73.25 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 73.03 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 75.01 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 62.53 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 65.2 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 74.23 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 75.45 111.71 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.44 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 73.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 64.51 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 71.42 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 74.24 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 74.25 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.43 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 73.24 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' HB ' HG22 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 72.1 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 72.42 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 71.41 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.498 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HG3' HG22 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 74.31 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 75.23 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.568 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.35 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 74.53 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 74.43 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 72.23 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.75 HG21 HG12 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 75.13 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.45 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.459 HE21 HG13 ' A' ' 70' ' ' VAL . 76.8 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 73.05 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 73.42 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 74.55 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.612 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 73.32 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG23 HD11 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.31 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.538 HG11 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.538 ' HG2' HG11 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 74.3 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 74.33 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 73.12 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 74.0 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 75.03 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 70.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 75.44 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.621 ' HZ2' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 74.14 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 60.12 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 74.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 73.43 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 62.23 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 75.44 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 71.11 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 74.45 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 75.31 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 74.34 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 74.44 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 74.44 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.529 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 74.11 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 73.52 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 74.31 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 73.43 113.814 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 74.01 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 74.45 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 62.32 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 64.53 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.502 HG23 HD23 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.448 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 75.45 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 73.02 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' HG21 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 62.11 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 74.45 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 65.41 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.52 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.54 HG12 HD22 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 74.22 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.52 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.53 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.759 HG23 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 75.31 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 75.14 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 74.3 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 73.12 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 73.43 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.54 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 71.43 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 74.14 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 74.54 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 73.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB2' ' HZ2' ' A' ' 49' ' ' LYS . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 74.04 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 73.21 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 74.33 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 75.44 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 74.24 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 75.21 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 64.34 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.45 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HA ' HD13 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 71.53 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 75.33 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 74.44 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 64.43 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 74.13 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 65.51 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB3' HD12 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 72.34 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 75.32 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 73.12 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 42.13 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 74.1 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 75.23 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 73.31 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.4 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.3 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 73.25 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.53 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 74.44 111.749 -175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.44 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 73.02 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 75.44 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 71.3 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.837 ' HZ2' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.54 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 73.51 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.502 HG11 HG22 ' A' ' 82' ' ' VAL . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.652 ' HG2' HD12 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 73.22 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 73.15 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 73.44 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 74.11 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 71.41 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 75.04 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 74.02 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 75.14 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 73.32 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 53.14 110.146 178.446 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 113.162 0.025 . . . . 71.11 113.162 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 74.3 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 74.12 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 73.42 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 72.33 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 60.53 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 75.02 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 62.44 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 74.24 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 64.02 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 75.21 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 74.22 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 71.43 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 74.43 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 73.23 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 74.51 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 75.43 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB3' HD23 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 62.14 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 74.34 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 61.05 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 75.4 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 72.33 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.662 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 74.15 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 72.24 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 61.42 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 72.54 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 74.35 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 75.13 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 74.42 110.969 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 75.12 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.35 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.55 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 61.53 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.662 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 53.15 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 72.21 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 74.33 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 75.44 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 72.42 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 71.32 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 75.21 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 72.32 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 55.23 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.817 HG11 HD12 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 74.43 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 72.23 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 71.11 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 61.33 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 72.02 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 75.2 109.777 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 74.42 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 74.15 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.467 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 74.05 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.31 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.817 HD12 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 74.22 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.47 ' HB3' ' HZ3' ' A' ' 100' ' ' LYS . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 75.31 109.899 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 64.35 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 75.1 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.672 ' HD2' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.406 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 72.13 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 64.34 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 74.45 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.406 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 72.54 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 75.33 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 75.15 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 74.55 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HB3' HG21 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.4 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.62 HD23 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.471 ' HG ' HG23 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 75.34 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 75.33 110.074 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.41 HG21 ' H ' ' A' ' 127' ' ' GLY . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.62 ' HA2' HD23 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 73.22 112.798 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.767 0 N-CA-C 111.306 -0.718 . . . . 72.13 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 71.14 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.657 HG13 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 HD13 HG23 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 75.14 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 70.11 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 73.33 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 73.33 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 74.32 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 73.42 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD21 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 74.23 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.625 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 74.34 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 73.42 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 73.24 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.673 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 65.35 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.33 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.632 HG23 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 74.02 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.503 HH21 HD21 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 73.02 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 HG23 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 71.45 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 75.31 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 75.31 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 63.31 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 70.12 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 73.4 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 61.2 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 75.24 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 73.32 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 74.41 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 74.31 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.417 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.34 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 75.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 73.41 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 73.03 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 64.03 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.504 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.54 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 74.0 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 74.12 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 74.11 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 75.51 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 73.32 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.557 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.21 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.469 ' HB ' HG11 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 74.43 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.699 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 73.5 110.91 -169.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 44.32 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 71.4 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 71.25 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 73.45 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.699 ' HD2' ' HZ1' ' A' ' 84' ' ' LYS . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 71.31 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 74.42 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 74.21 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 75.3 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 74.22 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 72.51 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 74.01 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 73.31 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 62.44 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 63.31 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.33 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.452 ' O ' HD11 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 74.21 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.657 HD13 HG13 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 74.42 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 71.35 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 72.31 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 75.23 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 75.33 111.859 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 62.31 110.948 178.067 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.504 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 74.3 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.25 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 75.24 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 72.41 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 72.3 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.34 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 72.14 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' HG21 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 74.53 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.44 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 72.02 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 74.13 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 74.21 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.662 ' HB2' ' HZ1' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.14 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 74.34 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.33 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 74.54 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 54.12 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 72.14 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 74.23 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 73.21 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 75.43 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.572 HG21 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 72.23 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 71.14 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 75.3 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 73.44 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 70.32 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 61.31 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HB3' HD13 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 75.01 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 74.42 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 74.01 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 75.42 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.32 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 73.03 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 70.42 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.52 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.702 HG22 HD12 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 72.54 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 75.0 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 73.22 109.973 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.518 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 75.22 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 72.21 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 74.33 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 HD12 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 72.34 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HZ3' ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.44 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 74.42 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 74.43 110.085 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 73.2 109.219 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.564 ' HG ' ' HZ3' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 72.21 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.581 HD12 HG23 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 75.5 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 75.12 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.518 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 70.04 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.508 HG13 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 73.11 108.41 165.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 73.52 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 72.12 110.764 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 74.5 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 74.34 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.13 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HB2' HG23 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 74.24 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 75.52 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 74.11 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 73.41 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.523 HD12 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 74.13 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 75.41 114.36 174.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 113.749 0.259 . . . . 50.3 113.749 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 72.41 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.409 HG13 HG21 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 73.35 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.23 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.516 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 64.44 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 74.34 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 72.1 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 73.25 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 62.43 109.892 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.41 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 73.21 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 74.23 109.242 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 73.34 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 73.2 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 63.41 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 72.2 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 72.24 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 73.23 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.487 HG21 HG11 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 72.52 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 74.13 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG2' HG13 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 74.31 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' HG22 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 64.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 73.42 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 74.02 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.581 HD11 ' HB1' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 72.31 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 73.31 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD2' HD13 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 73.15 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 72.11 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 75.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 73.04 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 73.51 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 74.34 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.55 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 64.31 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 74.11 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 73.11 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 64.31 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 73.43 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.602 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.31 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 74.25 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 73.02 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 73.02 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 64.23 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.43 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 74.43 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 71.42 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HZ3' ' HG ' ' A' ' 92' ' ' LEU . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.51 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.3 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 74.23 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 73.3 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 63.4 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 73.01 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.519 ' HG ' ' HZ3' ' A' ' 84' ' ' LYS . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 64.14 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.42 ' O ' HD12 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.41 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.555 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 72.23 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 75.34 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 63.34 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 70.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 64.25 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.726 ' HG2' HD12 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 72.12 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 75.13 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.45 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 71.14 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 74.44 112.56 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 73.53 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 75.3 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 75.13 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 74.42 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 74.33 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 74.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 73.4 110.767 174.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 73.21 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.709 HD11 HG23 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 73.04 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 63.11 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 72.02 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.25 109.149 171.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 72.22 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 73.11 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 73.53 111.28 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.531 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 74.31 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 71.25 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD22 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 72.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD23 ' HG1' ' A' ' 31' ' ' THR . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.615 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 61.44 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 73.34 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 64.31 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HE2' HG23 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.569 ' HG1' HD23 ' A' ' 23' ' ' LEU . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG23 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 75.31 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.531 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 73.43 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' HG21 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 73.32 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 64.43 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 73.43 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 75.5 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 70.01 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.41 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 75.44 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 70.53 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 70.01 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.24 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 72.44 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 73.23 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 72.12 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' O ' HG21 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 75.22 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 74.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.644 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 73.33 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 72.32 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 73.14 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 75.25 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.644 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 74.42 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 74.3 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 70.51 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 72.24 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.668 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 74.31 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 70.32 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.726 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.496 HG22 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 73.21 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 72.14 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.462 HG11 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 74.24 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.6 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 73.02 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 70.34 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 65.02 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 72.05 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 75.33 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 65.03 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 75.43 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 74.33 109.997 169.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 63.42 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.587 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 75.32 110.867 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 112.387 -0.285 . . . . 43.43 112.387 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 74.44 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.53 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 75.41 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 75.3 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 73.1 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 73.14 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 71.44 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 73.14 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 73.24 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.605 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 75.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.605 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 64.2 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.31 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 70.42 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 75.12 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 64.3 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 71.11 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.718 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.473 HG23 HG11 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 74.3 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 73.41 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 74.14 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 75.1 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 73.32 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HA ' HE21 ' A' ' 50' ' ' GLN . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.23 112.895 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.555 ' HB3' HD13 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' A' ' 47' ' ' ALA . 29.9 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 73.13 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 73.44 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 74.34 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 73.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 73.5 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.718 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 75.53 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 73.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.658 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 72.23 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 75.23 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.15 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 73.34 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 70.34 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 74.34 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 71.11 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 104' ' ' VAL . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 73.24 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.11 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 61.14 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.58 HE21 HG13 ' A' ' 70' ' ' VAL . 76.3 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 74.21 110.755 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.45 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 64.33 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.43 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 75.0 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 75.34 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HZ3' ' HB2' ' A' ' 96' ' ' TYR . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.43 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 72.35 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 71.44 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 74.45 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.488 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 70.24 112.727 -175.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 100' ' ' LYS . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 64.14 111.225 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 74.42 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 72.32 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 71.24 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 70.34 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 74.31 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.3 109.602 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 72.42 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.424 ' HG3' HG23 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.34 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 51.35 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 75.05 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 72.14 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtm . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.12 -0.326 . . . . 72.42 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.26 41.2 26.85 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.53 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 63.42 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 74.52 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 73.41 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.41 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.54 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.32 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 74.4 109.366 174.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG21 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 70.22 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 74.04 111.234 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 74.43 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.642 HG23 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.694 HG11 HG22 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 71.32 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 70.42 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HZ2' ' HA ' ' A' ' 21' ' ' VAL . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 74.11 111.071 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 75.43 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 72.44 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.49 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 63.32 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 73.21 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 75.31 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.471 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 73.33 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 72.14 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.562 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 75.45 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 75.42 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 73.33 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.42 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 74.53 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 65.23 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 72.41 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.521 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.5 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 73.02 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 73.04 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 75.21 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.403 HE21 ' NH1' ' A' ' 52' ' ' ARG . 15.4 mm100 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 62.41 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.49 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 75.53 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 71.44 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 73.21 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.694 HG22 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 73.41 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 74.23 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 71.43 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.425 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 74.23 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.425 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 71.15 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 64.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.564 ' HA ' HD11 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.564 HD11 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 73.01 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 73.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 73.21 111.063 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 71.13 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.419 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 74.14 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 74.21 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.524 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 75.2 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.81 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 74.12 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 72.23 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.487 ' HG3' HE21 ' A' ' 89' ' ' GLN . 2.7 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 74.11 110.89 -176.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 HE21 ' HG3' ' A' ' 87' ' ' GLN . 49.3 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 70.04 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 64.23 110.707 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 74.22 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.81 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.22 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 63.35 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 73.23 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.526 ' HB3' ' HZ3' ' A' ' 100' ' ' LYS . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 60.01 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 75.21 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.44 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 75.41 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 75.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 73.34 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 63.1 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.642 ' HB2' HG23 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 75.35 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.568 ' HB3' ' HZ2' ' A' ' 117' ' ' LYS . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 74.43 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 73.34 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 74.14 110.353 -175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' HD23 ' A' ' 122' ' ' LEU . . . 81.48 82.35 0.83 Allowed Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.2 t -150.03 9.67 0.68 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.161 0.584 . . . . 60.31 111.513 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.6 tp -167.25 159.66 12.94 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.601 0.36 . . . . 73.2 110.908 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.49 142.51 22.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.929 1.292 . . . . 64.4 112.197 166.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.02 2.43 43.4 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 115.695 -0.684 . . . . 55.11 110.462 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -140.63 139.81 34.92 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.737 0.815 . . . . 73.24 109.46 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -74.79 100.37 4.01 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.6 -0.889 . . . . 71.31 108.6 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.65 87.87 3.93 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.267 1.027 . . . . 74.45 109.833 -169.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -76.01 -51.4 12.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.811 -0.811 . . . . 65.15 108.811 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 CA--C 1.55 0.956 0 C-N-CA 124.338 1.055 . . . . 54.43 108.49 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HB2' HG23 ' A' ' 126' ' ' VAL . 1.2 mpt? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.187 -0.301 . . . . 73.41 110.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.43 60.94 3.62 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.372 -0.376 . . . . 62.1 113.166 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 73.42 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.437 HG22 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 75.33 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 70.23 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.624 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 72.54 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 72.52 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 74.31 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 75.32 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.31 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 75.25 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.548 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.24 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 72.12 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.629 HG13 HG21 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 71.12 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 72.3 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 73.22 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG12 HG21 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.588 HG22 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 65.15 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.471 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 72.44 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 75.32 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 71.21 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 62.11 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 71.54 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.34 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 74.04 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 71.31 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 74.53 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 70.03 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 74.24 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 73.53 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 71.13 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.629 HG21 HG13 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 74.51 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.437 ' HB ' HG22 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 73.54 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 73.51 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 71.32 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.471 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' HG3' HG23 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 74.34 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 75.45 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.4 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 74.51 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 53.05 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 74.25 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 75.14 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.523 ' NH2' HD23 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 73.42 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.523 HD23 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 75.35 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.454 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 73.34 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.624 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 73.1 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG13 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.51 ' HG2' HG13 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 62.45 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.571 HD22 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 72.22 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.677 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 73.43 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.677 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 74.15 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 64.1 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.54 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 73.44 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 73.31 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.454 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 74.54 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 74.34 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.5 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 74.14 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 72.53 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.42 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 74.13 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 72.3 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.548 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 74.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 73.32 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 75.53 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.44 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 62.53 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.509 HG23 ' HB2' ' A' ' 1' ' ' MET . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.21 110.08 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . -179.69 40.97 0.08 OUTLIER Glycine 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.4 t -161.36 150.65 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.974 0.91 . . . . 51.1 110.246 -174.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.3 tp 68.01 136.45 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.968 1.707 . . . . 73.23 111.577 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.34 175.13 13.73 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.032 0.933 . . . . 75.03 110.101 -171.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -91.66 55.53 2.75 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.842 0.829 . . . . 75.33 109.338 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.2 145.72 47.82 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.36 -0.836 . . . . 72.45 109.16 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.98 112.36 3.84 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.536 -1.283 . . . . 73.24 107.536 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -70.72 91.43 0.82 Allowed 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.918 -0.583 . . . . 70.52 109.579 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.86 98.28 0.72 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.649 -0.705 . . . . 75.33 109.824 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.3 m80 . . . . . 0 CA--C 1.552 1.028 0 CA-C-O 118.405 -0.807 . . . . 74.12 108.938 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.342 0.591 . . . . 74.13 110.152 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.46 48.82 0.11 Allowed Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.891 -0.595 . . . . 61.0 112.005 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 74.5 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.63 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 73.1 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.602 HG23 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 72.03 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 71.13 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 74.13 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 74.54 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 71.4 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.14 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 75.03 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 75.05 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.594 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG11 HG23 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.594 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.54 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 73.45 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 75.04 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.627 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 75.03 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.555 HG23 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.46 HG23 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 64.22 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.641 HG22 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.43 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 75.55 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' HG12 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 72.31 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.641 ' HG2' HG22 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.607 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 74.4 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 74.21 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.627 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 74.04 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 72.45 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 74.43 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 73.41 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.54 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 74.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 72.31 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 71.13 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 74.5 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.524 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.602 ' HG3' HG23 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 71.54 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG12 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.63 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 74.33 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 73.33 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 73.42 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.736 HG21 HG13 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 74.31 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 73.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 73.32 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.54 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 44.34 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.419 ' NH2' HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.736 HG13 HG21 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 74.0 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.681 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.31 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 70.14 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.587 ' HZ1' ' HG ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.35 112.322 -167.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 73.52 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 61.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.505 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 74.34 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 75.12 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 75.11 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.587 ' HG ' ' HZ1' ' A' ' 84' ' ' LYS . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 75.43 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 65.42 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.599 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 73.42 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 73.33 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 73.25 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 63.22 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.681 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 74.03 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 130' ' ' GLU . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 75.23 109.935 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 74.32 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.477 ' HG3' HG13 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 74.45 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.571 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 71.0 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 75.41 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 74.53 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 74.22 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.5 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 63.11 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.31 57.52 6.72 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.4 t -86.08 177.28 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.989 0.516 . . . . 74.3 110.949 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.419 HD11 ' NH2' ' A' ' 79' ' ' ARG . 7.6 mp -93.81 165.55 12.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.142 0.977 . . . . 73.33 110.082 172.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.437 ' HB2' ' NH2' ' A' ' 107' ' ' ARG . 26.4 mt-10 -79.33 99.37 7.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.757 -0.831 . . . . 74.45 108.757 174.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -86.95 14.82 6.69 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.747 0.277 . . . . 75.24 111.747 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -132.11 -46.57 0.93 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.12 0.568 . . . . 74.11 110.07 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.42 101.73 3.0 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.336 -0.616 . . . . 72.1 109.336 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -102.29 -11.76 18.47 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.18 0.992 . . . . 75.43 111.062 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.4 t60 70.64 -68.67 0.2 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.583 1.553 . . . . 72.22 110.936 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 123.918 0.887 . . . . 74.0 109.811 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.174 -0.306 . . . . 71.31 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.58 54.59 2.2 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.545 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 75.24 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 74.42 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.437 HG23 HD23 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 71.21 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 74.13 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 73.33 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 71.43 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 70.54 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 65.33 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 75.11 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 74.15 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG11 HD22 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 72.33 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 75.23 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.13 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 65.13 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 73.22 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 73.14 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 63.25 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG23 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.678 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 75.33 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 HG22 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 74.53 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 74.31 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' HD3' HG22 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 74.23 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.624 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 74.34 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 74.4 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HG3' HG23 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 65.04 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 71.15 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 72.21 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 73.34 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 63.23 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 70.2 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 73.41 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 75.24 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 74.14 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.678 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 65.55 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.522 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 62.13 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.522 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.43 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 74.01 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 72.03 112.297 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.51 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.624 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.573 HG23 HG12 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 74.24 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 75.32 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 74.45 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 64.14 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.504 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 75.43 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.637 ' HE ' HD12 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 74.31 107.267 173.1 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.573 HG12 HG23 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 73.14 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.776 HD12 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.635 ' HB ' HG13 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.727 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 74.33 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.698 ' HE3' HD13 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 75.12 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.42 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 74.23 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.55 110.456 -169.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 74.21 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.54 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.698 HD13 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 71.05 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 73.14 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 75.22 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' HB3' HD13 ' A' ' 81' ' ' LEU . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG13 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.776 ' HG3' HD12 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 74.21 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 64.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 74.02 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 74.32 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.727 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 74.4 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.437 HD23 HG23 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 73.42 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.21 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.496 HD22 HG11 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 74.22 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.441 ' HD2' ' HG ' ' A' ' 128' ' ' SER . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 73.32 110.8 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 70.03 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.27 131.91 3.0 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 73.31 111.761 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.441 ' HG ' ' HD2' ' A' ' 125' ' ' LYS . 16.1 m -148.18 115.86 6.33 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.084 0.953 . . . . 70.01 109.559 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.637 HD12 ' HE ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -97.7 98.02 9.51 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.163 -0.68 . . . . 75.13 109.163 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 135.28 10.46 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.673 -0.491 . . . . 75.23 109.673 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.55 ' HB3' ' HA ' ' A' ' 107' ' ' ARG . 22.2 p80 -152.32 45.95 0.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.01 0.524 . . . . 74.33 112.124 -171.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -60.74 93.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.64 0.733 . . . . 62.02 110.779 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -149.29 5.12 0.63 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.565 1.146 . . . . 75.42 109.791 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.99 148.76 0.07 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.638 1.575 . . . . 71.13 111.529 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -143.9 -66.07 0.36 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.399 -0.963 . . . . 72.1 108.399 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 107.615 -1.254 . . . . 61.41 107.615 175.209 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.002 0.429 . . . . 74.25 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.613 ' HA3' HD21 ' A' ' 78' ' ' LEU . . . -114.54 76.01 0.25 Allowed Glycine 0 C--N 1.342 0.897 0 N-CA-C 111.567 -0.613 . . . . 73.15 111.567 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.495 HG12 HD22 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 62.33 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 74.15 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.452 HG23 HD23 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 74.1 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.417 ' ND2' HE22 ' A' ' 89' ' ' GLN . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 75.02 110.873 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.481 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 74.52 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 75.5 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 74.12 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 74.42 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 73.32 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 HD22 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 63.4 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 72.34 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 52.1 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 74.22 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 75.3 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 74.22 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.626 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.604 ' HE2' HG12 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 73.42 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 75.12 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 74.5 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.626 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 63.22 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 74.24 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 75.02 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 70.21 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 70.34 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 74.34 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG23 HG13 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 74.42 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.442 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 73.53 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 74.21 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 74.42 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 75.24 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 65.54 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.469 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 72.21 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.604 HG12 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 74.53 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 74.45 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB3' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 74.34 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 65.13 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.613 HD21 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 73.51 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG22 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 63.33 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 HD22 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 65.02 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 73.31 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.495 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.33 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 70.53 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.454 ' HB2' HE21 ' A' ' 89' ' ' GLN . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 75.41 109.974 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.44 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.454 HE21 ' HB2' ' A' ' 87' ' ' GLN . 43.0 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 75.24 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.495 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 72.2 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 73.12 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' HA ' HG22 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 75.52 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 64.21 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.478 ' HG3' HG22 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 73.35 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 73.54 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 HD23 HG23 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 75.33 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 73.04 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.589 HD22 HG11 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 74.04 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 75.25 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 73.32 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.449 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 168.22 45.49 0.03 OUTLIER Glycine 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 75.4 109.591 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.0 p -155.94 157.39 36.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.074 0.95 . . . . 63.42 110.312 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.499 HD21 ' H ' ' A' ' 129' ' ' LEU . 2.1 pt? -119.31 147.67 44.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.224 1.01 . . . . 70.21 109.243 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -111.08 -76.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.698 0.799 . . . . 74.44 111.204 -172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -109.1 24.95 12.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.721 1.208 . . . . 71.1 111.64 -166.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.439 ' HB3' HD11 ' A' ' 129' ' ' LEU . 73.2 t60 -68.79 100.51 1.18 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.241 -0.652 . . . . 73.43 109.241 171.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -73.51 143.67 46.46 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.795 0.838 . . . . 74.15 110.437 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -163.45 120.02 1.77 Allowed 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.792 0.683 . . . . 73.2 109.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.98 147.54 26.17 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.544 -0.539 . . . . 73.55 109.544 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.4 p80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 122.816 0.447 . . . . 73.44 110.547 175.819 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.292 -0.633 . . . . 75.14 109.292 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.46 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -107.8 40.96 2.34 Favored Glycine 0 C--N 1.344 0.979 0 N-CA-C 111.838 -0.505 . . . . 73.24 111.838 176.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 75.43 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.423 HG12 HG22 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 63.51 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.49 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 65.21 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 72.52 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.551 HG23 HG13 ' A' ' 58' ' ' ILE . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 73.11 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 74.32 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 75.22 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 74.41 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 73.12 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 72.4 109.984 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 74.41 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 72.23 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 72.53 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.711 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 74.22 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 74.43 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 73.12 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 72.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.55 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.711 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 74.13 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HE3' HG12 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 71.42 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 75.12 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.454 HG11 HD12 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.33 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 74.12 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.481 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 72.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 65.31 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.481 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 71.25 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.449 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 73.13 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.423 HG22 HG12 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 73.35 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 72.53 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 64.34 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 71.34 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.57 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 73.12 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 74.33 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 73.12 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.57 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 65.23 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 74.44 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG12 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' HG21 ' A' ' 70' ' ' VAL . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 74.14 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 72.41 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 73.23 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.788 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.3 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 72.21 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.53 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 73.01 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 71.02 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.47 HH12 HD12 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.15 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.788 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 74.33 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 71.43 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.527 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 75.41 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.547 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 73.23 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 73.0 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 75.53 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 74.44 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 75.41 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.477 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 75.12 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.604 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.562 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 72.33 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 73.34 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 74.33 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.604 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.22 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 60.41 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.562 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 74.51 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 75.32 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.602 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.44 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.566 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 64.13 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.566 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 74.34 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.602 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 72.11 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.479 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 74.44 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 73.44 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.456 ' HD3' ' HB3' ' A' ' 130' ' ' GLU . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.97 -116.73 5.49 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.8 t 62.28 -176.91 0.13 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.659 1.184 . . . . 71.04 111.955 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.2 140.38 39.25 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.325 -0.991 . . . . 64.25 108.325 169.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 125' ' ' LYS . 4.1 tm-20 -175.97 149.08 0.88 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.286 -0.635 . . . . 74.02 109.286 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 67.8 t60 78.63 -58.86 0.43 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.901 1.68 . . . . 73.15 111.884 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 50.2 -175.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.867 1.667 . . . . 75.23 112.469 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -143.59 -83.25 0.16 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.574 -0.899 . . . . 70.4 108.574 168.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -147.45 161.44 41.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.609 -0.886 . . . . 73.53 108.609 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -156.53 139.51 15.36 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.893 -1.151 . . . . 75.23 107.893 166.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 CA--C 1.554 1.103 0 N-CA-C 108.92 -0.77 . . . . 73.21 108.92 174.438 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.72 0.295 . . . . 73.34 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.19 54.24 2.91 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG12 HD11 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG21 HD22 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.605 HG21 ' HG3' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 75.51 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 72.22 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 71.22 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 61.5 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.31 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.641 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.593 HG11 HG23 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.42 111.593 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.641 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 75.14 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.426 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 62.13 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.517 ' HB3' HD21 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 74.51 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 73.14 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.13 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG13 HG21 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.443 HG23 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 72.11 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG22 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 74.13 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.481 ' HE2' HG11 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 74.24 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 74.12 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 73.42 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 73.21 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 74.31 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 73.11 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD2' HG22 ' A' ' 29' ' ' VAL . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.593 HG23 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 75.23 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 74.44 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.605 ' HG3' HG21 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.3 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 71.33 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 75.33 110.834 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 72.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 72.53 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.443 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 74.33 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 71.43 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 75.02 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 73.5 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 74.43 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 74.25 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 73.41 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 73.41 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 74.21 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.446 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 74.24 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 74.14 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.467 ' O ' HG22 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.453 ' HB2' ' HB1' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.481 ' H ' HG22 ' A' ' 85' ' ' VAL . 1.5 m120 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 70.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.14 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.464 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HZ3' ' HB3' ' A' ' 117' ' ' LYS . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 61.12 110.368 -178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 73.4 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.56 HD11 HG12 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 74.0 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 72.44 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 70.34 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 64.13 110.847 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 73.54 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.23 29.74 73.38 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.0 p -158.17 165.3 35.26 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 117.537 0.668 . . . . 73.01 111.188 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.446 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 2.4 pt? -150.87 164.0 37.33 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.87 0.868 . . . . 75.01 109.24 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -81.2 161.5 23.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.232 0.539 . . . . 71.45 111.548 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -83.96 76.84 10.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.143 -0.935 . . . . 70.41 108.483 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -91.34 95.7 10.14 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.362 -0.977 . . . . 75.52 108.362 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -153.73 119.31 5.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.918 0.887 . . . . 64.21 109.135 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -61.99 135.27 57.47 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.397 0.679 . . . . 74.2 111.771 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.45 109.8 4.19 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.095 0.958 . . . . 72.23 109.143 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.791 -0.818 . . . . 64.41 108.791 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mtm . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.763 -0.829 . . . . 74.33 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.85 79.9 0.1 OUTLIER Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.002 -0.839 . . . . 72.02 111.002 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.566 HG21 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 73.01 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 74.34 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.545 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.24 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 73.02 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 73.41 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 72.03 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 74.24 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 71.2 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 71.12 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 72.24 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 75.32 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 75.11 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 73.04 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 73.45 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 73.1 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 65.23 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 72.0 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 74.04 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 73.1 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 18.2 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 75.14 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.447 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 74.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.447 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 74.42 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HA ' HG23 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 71.22 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 64.23 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 70.44 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.42 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 75.4 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 75.44 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.404 HG13 HG22 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 64.2 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 74.23 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 74.21 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 74.41 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.566 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 75.13 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 74.45 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.691 HG22 HD12 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.567 ' HA ' HD23 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 73.23 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 73.14 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 63.34 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 75.51 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 75.54 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 73.12 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 70.21 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 73.31 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.619 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.691 HD12 HG22 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 74.25 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 71.02 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.404 HG22 HG13 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 75.31 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.423 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 75.22 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 65.31 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 71.41 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 73.25 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.514 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.48 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 74.25 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 75.13 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 73.42 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 75.31 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.56 ' HA3' HG22 ' A' ' 3' ' ' THR . . . 140.02 -100.37 0.28 Allowed Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 m 67.95 -176.77 0.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.068 1.347 . . . . 70.42 111.505 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.45 HD12 ' NH1' ' A' ' 79' ' ' ARG . 2.3 pt? -160.43 -4.03 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.095 0.558 . . . . 72.54 112.229 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.15 74.74 9.98 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.223 -0.923 . . . . 75.01 109.924 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -166.75 87.25 0.31 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.437 1.095 . . . . 72.45 109.148 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -97.35 -35.64 10.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.806 0.843 . . . . 74.41 110.223 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 80.48 -40.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 126.064 1.746 . . . . 72.44 111.279 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -140.7 121.16 14.09 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.724 -0.843 . . . . 75.31 108.724 170.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -68.83 133.21 47.97 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.253 0.621 . . . . 75.35 109.825 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--O 1.248 0.986 0 N-CA-C 107.938 -1.134 . . . . 73.51 107.938 172.854 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 110.718 -0.104 . . . . 75.3 110.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.1 37.68 87.45 Favored Glycine 0 C--N 1.355 1.604 0 O-C-N 123.561 0.538 . . . . 62.44 112.968 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 64.45 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 62.32 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 75.32 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 65.12 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 75.54 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.659 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 75.35 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.659 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.34 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 73.43 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.728 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 61.44 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.471 ' HA ' HD22 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 53.24 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 73.44 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.531 HG21 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 74.15 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 71.44 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG12 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 74.23 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.05 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' HG3' HG12 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD12 ' HB1' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 74.04 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 73.53 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.544 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 74.44 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.22 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.531 ' HD2' HG21 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 74.24 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.406 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 74.43 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 73.15 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.499 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.23 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 75.04 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 70.23 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.499 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.42 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 75.43 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 74.21 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 72.22 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 75.13 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG22 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 73.44 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 64.34 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.522 HE21 HG12 ' A' ' 70' ' ' VAL . 79.9 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 74.22 110.515 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 70.45 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.417 HG13 HG11 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 72.41 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 74.42 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 72.31 109.192 -175.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 75.21 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 70.02 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 74.32 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.471 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 71.23 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 65.01 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 73.14 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 74.45 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 73.15 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 73.24 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 73.52 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 73.02 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 64.54 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 74.11 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.606 HG22 HG13 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.31 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.627 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 70.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.441 HG12 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 54.23 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.31 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 74.24 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 74.42 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.728 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 75.22 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.13 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' O ' HD11 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 74.53 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.533 ' HB3' HD22 ' A' ' 129' ' ' LEU . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 73.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 74.22 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.45 30.94 0.02 OUTLIER Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 74.42 111.139 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.2 t -164.37 127.83 2.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.13 0.572 . . . . 73.31 110.1 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 121' ' ' GLU . 32.3 tp -155.82 132.23 10.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.644 0.777 . . . . 75.25 110.629 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.27 84.92 0.11 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.57 1.548 . . . . 73.33 112.648 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -91.71 -0.85 57.58 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.949 0.899 . . . . 73.42 110.849 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -85.48 48.65 1.62 Allowed 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.596 1.189 . . . . 65.12 109.55 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.37 11.47 4.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.496 1.518 . . . . 73.32 107.662 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -89.51 80.64 6.67 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.322 1.049 . . . . 74.23 110.84 -166.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -132.79 -22.36 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.178 -0.919 . . . . 74.33 108.81 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.236 1.015 . . . . 73.54 108.58 -176.742 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.559 -0.163 . . . . 73.03 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.18 31.67 33.9 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.468 HG12 HG21 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 74.43 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 63.21 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.424 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 63.01 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 73.42 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 75.34 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 75.33 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 71.23 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 73.44 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 72.21 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 73.44 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 73.4 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 75.33 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 74.44 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 74.14 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 75.41 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 71.43 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 75.25 110.733 178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.31 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 70.21 109.614 174.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 73.44 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 65.12 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 65.02 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 72.34 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 73.1 111.621 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 75.25 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 75.13 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 72.43 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 74.24 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 72.34 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.521 HD13 HD12 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.521 HD12 HD13 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 72.24 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 74.33 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.415 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 73.42 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 73.22 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 55.44 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 74.13 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 73.44 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 73.52 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.441 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 73.3 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.53 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 70.13 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 75.11 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 62.14 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 72.51 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 60.5 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 75.23 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.496 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 75.32 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 74.01 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 74.15 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 63.4 108.745 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 73.3 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 74.34 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 75.44 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 70.45 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 75.43 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 74.55 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 72.04 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' A' ' 101' ' ' LYS . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 HG23 HG11 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG13 HG21 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 75.34 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.428 ' HG3' HD12 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 70.13 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.61 HG23 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 64.23 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 72.25 113.016 169.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.441 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 72.32 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.47 ' HZ1' ' HB3' ' A' ' 117' ' ' LYS . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 63.12 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.61 ' HD2' HG23 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.42 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 72.11 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.501 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.428 HD12 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 74.23 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.574 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.01 19.32 22.35 Favored Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.1 p -147.45 148.53 31.36 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.14 -1.059 . . . . 72.13 108.14 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.574 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 41.6 tp -173.67 -64.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.032 0.833 . . . . 74.34 109.203 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 58.23 91.69 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.572 1.17 . . . . 63.1 110.775 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.87 110.88 23.32 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.812 -0.81 . . . . 74.1 108.812 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.97 113.2 4.25 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.874 0.87 . . . . 75.13 110.037 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -159.38 -44.55 0.05 Allowed 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.193 0.597 . . . . 63.33 110.196 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 67.38 168.59 0.25 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.818 1.247 . . . . 72.41 111.999 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -117.39 42.93 2.45 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.582 1.153 . . . . 74.42 108.476 175.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 N--CA 1.478 0.974 0 C-N-CA 125.652 1.581 . . . . 74.03 108.152 -165.261 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.442 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.453 -0.202 . . . . 75.54 110.453 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.466 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -83.67 73.97 2.59 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 64.53 112.444 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.58 HG21 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 74.24 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 74.55 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.572 HD12 HG23 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.51 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 73.54 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.637 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 74.51 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 71.11 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 72.41 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 74.23 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 74.52 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.43 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 73.24 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 13' ' ' ARG . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 64.53 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 75.23 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 64.43 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.653 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 64.44 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 72.51 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 75.43 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 73.24 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 72.2 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 73.41 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 63.35 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG12 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 73.52 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 75.03 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HE2' HG11 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 74.24 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 75.53 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 71.03 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 72.43 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 65.3 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 74.21 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 71.23 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 74.34 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 75.41 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG11 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 73.24 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 74.1 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 62.02 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 73.23 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.614 HG13 HG23 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 65.11 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.487 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 74.44 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.487 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.466 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.58 ' HB3' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 75.31 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 HG13 HG21 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.572 HG23 HD12 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 75.33 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.5 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 71.2 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 61.32 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 74.13 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 74.25 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 75.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 72.21 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 74.23 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 73.32 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.43 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 73.01 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.499 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.668 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.13 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 54.42 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 72.42 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.668 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 75.31 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 73.1 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.5 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 72.2 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 75.41 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.43 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 75.33 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 63.31 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 70.24 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.569 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 74.43 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.651 ' HG3' HG22 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.569 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 72.42 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.432 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.432 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.667 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 74.32 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 74.35 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 73.32 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 73.13 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.667 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 138.67 110.55 0.94 Allowed Glycine 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.2 p -142.95 -178.97 6.08 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.472 0.709 . . . . 74.1 111.276 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 31.0 tp -131.61 140.59 49.45 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.604 0.762 . . . . 73.24 109.526 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -47.16 0.14 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.25 -0.886 . . . . 72.33 111.099 -173.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -91.73 104.45 16.9 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.483 -0.932 . . . . 73.45 108.483 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -151.69 22.39 0.7 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.24 0.83 . . . . 74.03 113.24 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -76.99 -11.4 59.8 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.184 0.439 . . . . 74.25 112.184 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -63.26 95.56 0.09 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.109 0.964 . . . . 74.23 111.825 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -172.38 101.32 0.15 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.445 1.098 . . . . 73.34 109.111 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 CA--C 1.555 1.145 0 CA-C-O 119.005 -0.521 . . . . 74.53 110.298 173.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 4.1 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.741 -0.466 . . . . 75.22 109.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.06 81.51 1.17 Allowed Glycine 0 C--N 1.358 1.783 0 O-C-N 123.162 0.289 . . . . 74.11 112.429 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.416 ' HB ' ' HA3' ' A' ' 127' ' ' GLY . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 72.25 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG11 HG21 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 73.23 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 74.12 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.481 HD21 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.2 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 71.21 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 72.21 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 71.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 65.45 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 73.32 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.31 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.1 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 71.13 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 73.3 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 64.01 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 74.05 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG23 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 65.11 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 74.14 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 74.21 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 74.55 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 75.22 111.444 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 64.54 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.595 HD12 ' HB1' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 64.33 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 64.25 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.405 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 75.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HG2' HG11 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.442 HG21 HG11 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 72.52 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 74.02 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 71.2 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 73.22 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 72.03 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 72.14 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.414 ' HB2' HG13 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 75.22 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 64.22 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 73.43 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.665 HG23 HG12 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 70.34 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 64.03 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.595 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 60.14 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 75.2 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 75.11 107.246 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG12 HG23 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD12 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 73.25 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.583 HG22 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.512 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.54 ' HZ1' HD11 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 73.52 111.448 -163.576 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.607 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.43 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.607 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 72.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 74.52 112.78 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.53 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 HD11 ' HZ1' ' A' ' 84' ' ' LYS . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 75.14 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.454 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 74.51 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.583 HD13 HG22 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.546 ' HD2' HG21 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 74.14 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 75.3 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 52.33 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 HG13 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 62.31 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.546 HG21 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.569 ' HG3' HD12 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 72.24 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.24 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.411 HG22 ' HA ' ' A' ' 115' ' ' ALA . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 73.35 110.05 -175.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 62.21 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 114' ' ' GLU . 31.4 t30 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.413 ' HB3' HD22 ' A' ' 111' ' ' ASN . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.53 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 74.11 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.618 ' HZ2' ' HB2' ' A' ' 117' ' ' LYS . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 74.13 111.242 -177.149 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 73.14 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 HG22 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 75.23 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 128' ' ' SER . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.43 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.666 ' HG ' HG21 ' A' ' 29' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 73.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 75.33 111.318 -178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 75.32 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.416 ' HA3' ' HB ' ' A' ' 3' ' ' THR . . . 105.86 -59.19 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.641 ' HA ' HD22 ' A' ' 122' ' ' LEU . 34.9 p -173.93 -57.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.889 0.476 . . . . 75.43 111.669 -174.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 tp 58.4 31.28 20.75 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.2 1.4 . . . . 75.54 111.755 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 54.15 47.6 22.83 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.246 1.418 . . . . 72.44 114.44 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.2 t60 71.07 -4.65 1.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.617 0.969 . . . . 74.43 113.617 164.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.1 m170 62.61 -171.93 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.597 1.159 . . . . 73.21 111.963 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -81.68 77.25 8.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.089 -0.708 . . . . 72.23 109.089 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -136.22 88.41 2.38 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.256 0.622 . . . . 75.45 109.613 -176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -54.51 105.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.12 0.968 . . . . 75.42 110.359 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 124.972 1.309 . . . . 54.42 109.526 -171.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' HG2' HG12 ' A' ' 126' ' ' VAL . 77.1 mtp . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.214 -0.291 . . . . 72.14 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.99 36.33 52.13 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 -173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.55 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.612 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 74.42 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.551 HD11 HG23 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.4 HG23 HD23 ' A' ' 119' ' ' LEU . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 72.13 109.336 175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG22 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 75.12 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 71.52 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 72.3 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 73.24 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 74.11 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' O ' HG21 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 73.25 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 73.03 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG12 HD23 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.44 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 75.01 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 62.53 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 65.2 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 74.23 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.597 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 75.45 111.71 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.44 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 73.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 64.51 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.441 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 71.42 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 74.24 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 74.25 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.43 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.54 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 73.24 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' HB ' HG22 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.498 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 72.1 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 72.42 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 71.41 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.498 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HG3' HG22 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 74.31 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 75.23 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.568 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.35 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 74.53 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 74.43 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 72.23 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.75 HG21 HG12 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 75.13 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.45 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.459 HE21 HG13 ' A' ' 70' ' ' VAL . 76.8 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 73.05 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 73.42 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.75 HG12 HG21 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 74.55 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.612 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 73.32 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG23 HD11 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.594 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.31 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.538 HG11 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.421 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.538 ' HG2' HG11 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 74.3 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.4 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 74.33 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 73.12 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 74.0 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 75.03 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 70.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 75.44 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.474 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.621 ' HZ2' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 74.14 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 60.12 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 74.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 73.43 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 62.23 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.421 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 75.44 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 71.11 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.549 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 74.45 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 75.31 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 74.34 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 74.44 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 74.44 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.543 HD23 ' HB2' ' A' ' 129' ' ' LEU . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 74.11 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.597 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 73.52 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 74.31 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.447 HG12 ' HG2' ' A' ' 1' ' ' MET . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 56.22 43.26 89.17 Favored Glycine 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 73.43 113.814 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.0 t -121.1 -65.12 1.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.066 0.395 . . . . 64.05 112.066 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.543 ' HB2' HD23 ' A' ' 122' ' ' LEU . 16.0 tp 68.74 165.66 0.25 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 125.058 1.343 . . . . 75.35 110.707 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.05 169.83 14.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.105 0.562 . . . . 73.52 110.763 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -85.65 11.18 11.38 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.921 0.888 . . . . 74.24 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -67.95 111.07 4.17 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.599 0.76 . . . . 75.12 111.347 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -172.38 -30.65 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.626 1.57 . . . . 73.24 109.271 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.5 m80 72.33 -168.59 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.354 1.462 . . . . 73.23 108.897 -161.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -95.2 -81.22 0.4 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.972 -1.122 . . . . 74.33 107.972 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.305 1.442 . . . . 74.41 107.541 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.485 -0.561 . . . . 74.22 109.485 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.9 158.7 9.46 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 74.01 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 74.45 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 62.32 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 64.53 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.502 HG23 HD23 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.448 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.415 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 75.45 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 73.02 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' HG21 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 62.11 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 74.45 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 65.41 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.52 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG12 HD22 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 74.22 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.52 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.53 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.759 HG23 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 75.31 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 75.14 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 74.3 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.494 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 73.12 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 73.43 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.54 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 71.43 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 74.14 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 HD12 ' HB3' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 74.54 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 73.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.427 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' HB2' ' HZ2' ' A' ' 49' ' ' LYS . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 74.04 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 73.21 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.759 ' HG2' HG23 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 74.33 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 75.44 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 74.24 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.494 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 75.21 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 64.34 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.45 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' HA ' HD13 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 71.53 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 75.33 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 74.44 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 64.43 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 74.13 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 65.51 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HB3' HD12 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 72.34 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 75.32 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 73.12 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 42.13 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.652 HD12 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 74.1 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 75.23 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.448 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 73.31 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.541 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.4 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.3 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 73.25 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.53 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 74.44 111.749 -175.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.44 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 73.02 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 75.44 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 71.3 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.837 ' HZ2' ' HA ' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.54 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 73.51 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.502 HG11 HG22 ' A' ' 82' ' ' VAL . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.652 ' HG2' HD12 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 73.22 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 73.15 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 73.44 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 74.11 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 71.41 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 75.04 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 74.02 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 75.14 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 73.32 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.22 -160.11 27.54 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 53.14 110.146 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.7 p -94.89 66.84 3.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.465 0.706 . . . . 70.24 109.914 173.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.74 164.28 17.71 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.442 -0.799 . . . . 74.32 110.162 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 56.83 41.84 27.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.641 1.176 . . . . 64.13 112.058 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -63.76 92.83 0.07 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-O 121.674 0.749 . . . . 74.24 109.639 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -131.59 141.8 49.75 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.922 1.289 . . . . 53.11 107.694 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.5 m80 61.76 -152.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.213 -1.032 . . . . 63.43 108.213 -170.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.3 m80 61.95 28.89 17.59 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.94 0.896 . . . . 73.54 111.566 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -76.03 80.41 2.88 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.389 -0.823 . . . . 75.12 108.959 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.318 1.447 . . . . 75.13 110.217 -175.339 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.124 -0.695 . . . . 73.1 109.124 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.28 48.68 3.96 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 123.075 0.369 . . . . 71.11 113.162 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.622 HG21 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 74.3 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 74.12 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 73.42 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 72.33 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 60.53 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 75.02 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 62.44 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 74.24 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 64.02 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 75.21 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 74.22 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 71.43 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 74.43 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 73.23 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 74.51 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 75.43 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.418 ' HB3' HD23 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 62.14 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 74.34 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 61.05 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG23 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.421 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' HB ' HD12 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 75.4 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.583 ' H ' HG22 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 72.33 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.662 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 74.15 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 72.24 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 61.42 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 72.54 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 74.35 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 75.13 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 74.42 110.969 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.454 HD12 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 75.12 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.35 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.566 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.55 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 61.53 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.662 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 53.15 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 72.21 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.513 HD13 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 74.33 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 75.44 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 72.42 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 71.32 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 75.21 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 72.32 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 55.23 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.622 ' HD2' HG21 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD13 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.817 HG11 HD12 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 74.43 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 72.23 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 71.11 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 61.33 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 72.02 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 75.2 109.777 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 74.42 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 74.15 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.467 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 74.05 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.31 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.817 HD12 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 74.22 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.47 ' HB3' ' HZ3' ' A' ' 100' ' ' LYS . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 75.31 109.899 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 64.35 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.442 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 75.1 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.672 ' HD2' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.406 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 72.13 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 64.34 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 74.45 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.406 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 72.54 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 75.33 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 75.15 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 74.55 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HB3' HG21 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.4 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.62 HD23 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.471 ' HG ' HG23 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 75.34 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 75.33 110.074 -174.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.41 HG21 ' H ' ' A' ' 127' ' ' GLY . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.62 ' HA2' HD23 ' A' ' 122' ' ' LEU . . . 141.94 44.39 0.06 OUTLIER Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 73.22 112.798 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 p -127.03 -70.53 0.71 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.31 0.644 . . . . 70.21 110.244 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.3 mp 71.67 126.77 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.763 1.625 . . . . 72.31 112.875 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -76.04 82.36 2.9 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.012 -0.995 . . . . 71.34 110.266 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -174.7 -40.6 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.491 1.516 . . . . 72.54 107.568 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.82 125.13 25.83 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.611 -1.177 . . . . 73.22 108.627 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 67.48 90.15 0.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.679 1.237 . . . . 71.11 110.257 -173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -97.11 -48.36 5.41 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.498 -0.774 . . . . 74.53 109.488 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 64.75 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.152 1.381 . . . . 74.45 112.609 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.432 0.693 . . . . 71.02 109.356 -177.096 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' HG13 ' A' ' 126' ' ' VAL . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.885 -0.413 . . . . 72.24 109.885 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.27 61.73 4.59 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 111.306 -0.718 . . . . 72.13 111.306 176.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 71.14 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.657 HG13 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HD13 HG23 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 75.14 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 70.11 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 73.33 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 73.33 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 74.32 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 73.42 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD21 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 74.23 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.625 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 74.34 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.573 HG11 HD22 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 73.42 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 73.24 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.673 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 65.35 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.33 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.632 HG23 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 74.02 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.503 HH21 HD21 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 73.02 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 HG23 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 71.45 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 75.31 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 75.31 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 63.31 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 70.12 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 73.4 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 61.2 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 75.24 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 73.32 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 74.41 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.46 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 74.31 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.417 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.34 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 75.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 73.41 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 73.03 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 64.03 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.504 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.54 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.439 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 74.0 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.434 HD11 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 74.12 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 74.11 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 75.51 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 73.32 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.557 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.21 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.469 ' HB ' HG11 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.557 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.462 HG23 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 74.43 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.699 ' HZ1' ' HD2' ' A' ' 95' ' ' PHE . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 73.5 110.91 -169.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 44.32 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 71.4 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 71.25 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 73.45 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.699 ' HD2' ' HZ1' ' A' ' 84' ' ' LYS . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 71.31 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 74.42 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 74.21 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.469 HG11 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 75.3 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 74.22 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 72.51 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 74.01 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 73.31 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 62.44 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 63.31 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.33 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.452 ' O ' HD11 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 74.21 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.657 HD13 HG13 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 74.42 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.673 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 71.35 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 72.31 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 75.23 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.426 HG13 ' HB2' ' A' ' 1' ' ' MET . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 75.33 111.859 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.52 142.64 3.44 Favored Glycine 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 62.31 110.948 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.539 ' HB2' HD22 ' A' ' 122' ' ' LEU . 44.4 m -152.11 170.95 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.721 0.761 . . . . 71.24 111.504 -177.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -159.27 158.45 32.53 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.103 0.961 . . . . 74.42 110.917 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -137.66 154.46 49.7 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.524 1.13 . . . . 65.35 109.701 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -133.45 84.83 2.16 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.626 -0.879 . . . . 71.51 108.626 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -96.56 156.52 16.31 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.465 0.706 . . . . 75.05 110.641 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -124.47 150.8 45.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.95 0.9 . . . . 72.13 110.157 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -141.0 150.29 42.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.819 0.848 . . . . 64.25 109.855 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -110.44 97.16 6.68 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.212 -1.033 . . . . 72.01 108.212 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 123.289 0.636 . . . . 65.22 109.8 -174.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 108.719 -0.845 . . . . 72.43 108.719 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.02 61.39 0.35 Allowed Glycine 0 C--N 1.347 1.162 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 74.3 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.523 HG11 HD12 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.25 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.735 HG23 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.41 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 75.24 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 72.41 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 72.3 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.34 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 72.14 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' O ' HG21 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 74.53 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.44 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 72.02 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.547 HG23 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 74.13 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 74.21 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.662 ' HB2' ' HZ1' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.458 ' HB3' HD21 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.14 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 74.34 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.33 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 74.54 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.42 HG21 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 54.12 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.572 HG23 HG21 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 72.14 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 74.23 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 73.21 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 75.43 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.572 HG21 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 72.23 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 71.14 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 75.3 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 73.44 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 70.32 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 61.31 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HB3' HD13 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 75.01 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 74.42 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 74.01 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 75.42 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.32 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 73.03 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.735 HD11 HG23 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 70.42 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.52 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.702 HG22 HD12 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 72.54 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.569 HD13 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 75.0 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 73.22 109.973 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.481 HD13 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.518 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 75.22 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 72.21 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 74.33 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.581 HG23 HD12 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 72.34 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HZ3' ' HG ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.44 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 74.42 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 74.43 110.085 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 73.2 109.219 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.564 ' HG ' ' HZ3' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 72.21 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.581 HD12 HG23 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 75.5 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 75.12 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.518 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 70.04 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.508 HG13 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.504 HH21 ' HA ' ' A' ' 130' ' ' GLU . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 73.11 108.41 165.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 73.52 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 72.12 110.764 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 74.5 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 74.34 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.13 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.547 ' HB2' HG23 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 74.24 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 75.52 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 74.11 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 73.41 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.523 HD12 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.527 ' HG ' HG22 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 74.13 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.542 ' HG3' HD13 ' A' ' 129' ' ' LEU . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 103.21 -4.45 48.42 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 75.41 114.36 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -89.34 66.2 7.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.202 0.601 . . . . 74.31 109.569 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 125' ' ' LYS . 11.1 mp -93.25 136.77 33.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.059 0.543 . . . . 74.23 110.685 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.504 ' HA ' HH21 ' A' ' 107' ' ' ARG . 10.0 pt-20 -152.17 -161.55 1.33 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.702 1.201 . . . . 75.05 109.401 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.4 t60 61.48 79.27 0.26 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.19 0.996 . . . . 62.24 111.07 170.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -98.28 153.54 18.44 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.965 0.906 . . . . 74.31 109.916 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -82.08 1.43 35.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.784 0.834 . . . . 73.4 110.997 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -125.69 103.78 8.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.293 1.037 . . . . 75.23 108.441 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -95.23 124.85 39.49 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.486 -0.931 . . . . 75.32 108.486 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.534 -0.746 . . . . 75.13 110.095 -172.822 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.969 -0.382 . . . . 74.23 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.07 16.0 65.93 Favored Glycine 0 C--N 1.358 1.769 0 N-CA-C 113.749 0.259 . . . . 50.3 113.749 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 72.41 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.409 HG13 HG21 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 73.35 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.23 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.502 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.516 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 64.44 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 74.34 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 72.1 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 73.25 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.655 HG22 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 62.43 109.892 175.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.41 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 73.21 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 74.23 109.242 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 73.34 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 73.2 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 63.41 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.497 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 72.2 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 72.24 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 73.23 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.487 HG21 HG11 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 72.52 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 74.13 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG2' HG13 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 74.31 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.438 ' HE2' HG22 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 64.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 73.42 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 74.02 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.581 HD11 ' HB1' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 72.31 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 73.31 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.418 ' HD2' HD13 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 73.15 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 72.11 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 75.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 73.04 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 73.51 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 74.34 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.55 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 64.31 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 74.11 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 73.11 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 64.31 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 73.43 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.602 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.31 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 74.25 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.51 ' O ' HG22 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 73.02 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 73.02 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.698 HG23 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 64.23 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.581 ' HB1' HD11 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 HD13 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.698 HG11 HG23 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.43 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.726 HD12 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 74.43 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 71.42 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HZ3' ' HG ' ' A' ' 92' ' ' LEU . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.51 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.3 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 74.23 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 73.3 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 63.4 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 73.01 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.519 ' HG ' ' HZ3' ' A' ' 84' ' ' LYS . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 64.14 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.42 ' O ' HD12 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.41 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.555 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.609 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 72.23 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' HE3' HG21 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 75.34 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.555 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 63.34 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 70.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 64.25 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.726 ' HG2' HD12 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 72.12 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.493 HG23 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 75.13 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.45 ' HA ' ' HB1' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 71.14 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 74.44 112.56 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 73.53 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 75.3 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.655 ' HG3' HG22 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 75.13 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 74.42 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 74.33 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 74.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 73.4 110.767 174.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.66 53.97 0.58 Allowed Glycine 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.8 t -150.76 138.69 19.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.796 0.438 . . . . 55.51 110.983 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 40.0 tp -158.8 159.04 34.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.502 1.121 . . . . 75.11 109.237 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.75 151.77 44.5 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.507 0.723 . . . . 63.24 111.037 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -90.02 79.66 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.694 -0.854 . . . . 74.45 108.694 170.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -97.02 95.24 7.66 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.113 -0.699 . . . . 73.54 109.113 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -127.01 -16.96 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.303 0.641 . . . . 74.02 110.967 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.11 90.43 0.33 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.628 -0.879 . . . . 74.31 108.628 172.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -123.44 119.63 30.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.209 1.003 . . . . 73.33 109.384 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.873 -0.788 . . . . 75.32 108.873 174.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HB3' ' O ' ' A' ' 51' ' ' GLY . 67.1 mtt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.182 -0.303 . . . . 73.22 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.57 33.23 76.09 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 -171.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 73.21 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.709 HD11 HG23 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 73.04 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 63.11 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 72.02 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.25 109.149 171.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 72.22 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 73.11 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 73.53 111.28 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.531 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 74.31 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.549 HG12 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 71.25 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD22 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 72.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD23 ' HG1' ' A' ' 31' ' ' THR . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.615 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 61.44 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 73.34 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 64.31 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' HE2' HG23 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.569 ' HG1' HD23 ' A' ' 23' ' ' LEU . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG23 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 75.31 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.531 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 73.43 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' HG21 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 73.32 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 64.43 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 73.43 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 75.5 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 70.01 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.498 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.41 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 75.44 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.424 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 70.53 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 70.01 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.24 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 72.44 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.507 ' HA ' HD13 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 73.23 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 72.12 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' O ' HG21 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 75.22 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 74.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.644 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 73.33 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 72.32 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 73.14 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 75.25 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.507 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.644 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD21 ' HA ' ' A' ' 128' ' ' SER . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.709 HG23 HD11 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 74.42 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.496 ' HD3' HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 74.3 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.668 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 70.51 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 72.24 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.668 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.726 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 74.31 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 70.32 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.726 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.496 HG22 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 73.21 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 72.14 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.462 HG11 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.632 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 74.24 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.6 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 73.02 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 70.34 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 65.02 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.632 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 72.05 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.549 ' O ' HG12 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 75.33 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.411 ' O ' HD12 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.615 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 65.03 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.587 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 75.43 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.558 HD22 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.685 ' HZ2' HD12 ' A' ' 129' ' ' LEU . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 74.33 109.997 169.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 63.42 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.587 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 179.64 -37.95 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 75.32 110.867 -175.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.669 ' HA ' HD21 ' A' ' 81' ' ' LEU . 35.2 m -77.71 98.68 5.57 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.682 0.793 . . . . 74.2 110.6 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.685 HD12 ' HZ2' ' A' ' 125' ' ' LYS . 52.8 tp -81.12 92.71 6.31 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.186 -0.672 . . . . 71.23 109.186 172.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 59.77 -168.87 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.151 0.98 . . . . 74.15 112.091 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -174.31 -28.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.721 1.208 . . . . 75.32 109.086 168.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.05 89.33 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.566 0.746 . . . . 75.31 109.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -106.33 127.33 53.18 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.329 -1.36 . . . . 74.23 107.329 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -72.47 -88.79 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 119.01 -0.519 . . . . 74.34 109.944 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 p80 169.12 -171.07 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.403 1.481 . . . . 73.34 108.814 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.137 0 N-CA-C 108.763 -0.829 . . . . 74.51 108.763 171.682 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 110.361 -0.237 . . . . 74.33 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.51 33.28 39.31 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 123.501 0.5 . . . . 43.43 112.387 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.418 HG23 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 74.44 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.53 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 75.41 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 75.3 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.53 HG13 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 73.1 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 73.14 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 71.44 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 73.14 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD11 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 73.24 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.605 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.679 HG11 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 75.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.605 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 64.2 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.31 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 70.42 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 75.12 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 64.3 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 HG23 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 71.11 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.718 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 HG23 HG11 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 74.3 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.559 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.602 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 73.41 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 74.14 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 75.1 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.627 HG22 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 73.32 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.635 ' HA ' HE21 ' A' ' 50' ' ' GLN . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.23 112.895 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.555 ' HB3' HD13 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.635 HE21 ' HA ' ' A' ' 47' ' ' ALA . 29.9 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 73.13 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 73.44 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 74.34 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.492 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 73.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 73.5 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.718 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 75.53 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.658 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 73.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.658 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 72.23 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.53 ' HB2' HG13 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 75.23 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.15 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 73.34 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' O ' HG21 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 70.34 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 74.34 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 71.11 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 104' ' ' VAL . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 73.24 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.11 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 61.14 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.58 HE21 HG13 ' A' ' 70' ' ' VAL . 76.3 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 74.21 110.755 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.45 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.627 HD12 HG22 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 64.33 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG22 HG12 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.43 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 75.0 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.488 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 75.34 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' HZ3' ' HB2' ' A' ' 96' ' ' TYR . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.604 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.43 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 72.35 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 71.44 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.604 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 74.45 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.488 ' HB2' ' HZ3' ' A' ' 84' ' ' LYS . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 70.24 112.727 -175.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.502 ' HZ1' ' HB3' ' A' ' 100' ' ' LYS . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 64.14 111.225 178.068 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 74.42 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 72.32 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 71.24 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 70.34 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 74.31 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.3 109.602 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 72.42 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.515 ' HA ' HG23 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.424 ' HG3' HG23 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.34 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 51.35 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.679 HD21 HG11 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 75.05 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 72.14 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 122' ' ' LEU . . . 74.86 -74.97 1.31 Allowed Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.1 t -173.93 114.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 107.765 -1.198 . . . . 63.31 107.765 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.76 -73.95 0.16 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.536 -0.542 . . . . 75.35 109.536 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -170.05 -168.49 0.75 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.651 0.78 . . . . 75.23 110.185 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 56.57 84.51 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.253 1.021 . . . . 74.03 111.573 168.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -59.44 122.06 13.04 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.293 -0.867 . . . . 74.42 110.642 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -79.8 -76.03 0.23 Allowed 'General case' 0 C--O 1.243 0.736 0 N-CA-C 108.621 -0.881 . . . . 72.0 108.621 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.65 54.12 11.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.2 1.0 . . . . 75.05 110.175 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -74.02 88.84 1.9 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.279 -0.873 . . . . 74.2 109.165 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.176 0.991 . . . . 74.33 108.585 -177.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.14 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 61.25 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 55.14 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 50.32 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.12 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.53 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.25 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' HD13 ' A' ' 18' ' ' LEU . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 72.13 109.366 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 61.43 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 14' ' ' ILE . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 64.4 111.234 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 72.53 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 63.52 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 63.02 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 71.21 111.071 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 73.44 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 54.45 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 60.41 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 65.42 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 74.53 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.473 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 64.32 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 71.41 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 71.43 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 64.41 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 31.51 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.41 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 64.44 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 63.34 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 71.33 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.04 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 42.12 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 70.02 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 72.35 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 54.5 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 71.41 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 54.31 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 63.44 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG21 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 53.01 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 41.11 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 52.55 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 71.35 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 65.2 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 63.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 61.03 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 71.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 64.44 111.063 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 52.11 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 61.32 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 64.02 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 62.45 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 70.53 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 42.55 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 73.2 110.89 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 58.4 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 64.42 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 89' ' ' GLN . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 62.45 110.707 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 73.5 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.821 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.12 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 53.53 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 43.43 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 45.13 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' HB2' HH12 ' A' ' 79' ' ' ARG . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 73.31 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.23 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 74.11 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 71.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 34.51 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 52.52 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HB2' HG21 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 73.53 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 62.23 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 72.54 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' HG2' HG12 ' A' ' 126' ' ' VAL . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 54.31 110.353 -175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.406 HG12 ' HG2' ' A' ' 125' ' ' LYS . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.296 0 CA-C-O 120.688 0.049 . . . . 53.23 113.166 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 70.01 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 72.41 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 63.03 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 71.3 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 71.2 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 72.52 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 72.53 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.1 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 71.01 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.15 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 62.23 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HG23 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 33.52 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 71.42 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 61.1 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 HG22 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 54.32 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 61.43 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 71.41 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 60.0 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 53.03 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 64.12 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.33 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 73.43 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 55.41 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 73.14 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 64.13 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 63.12 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 64.42 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 63.41 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.668 HG23 HG11 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 43.23 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 72.12 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 63.32 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 50.54 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 73.33 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 73.51 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.34 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 71.02 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.521 HG23 HG21 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 44.52 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 70.11 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 74.53 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH2' HD22 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 72.34 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 52.55 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 71.35 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 64.13 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 51.32 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.559 HD21 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 54.15 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 53.13 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.699 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 73.45 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 62.34 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.15 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 61.42 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 61.34 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HG21 ' A' ' 70' ' ' VAL . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.489 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 72.43 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 33.11 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 64.43 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 71.14 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.14 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 71.42 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 55.35 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 55.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 71.5 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 73.03 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 61.12 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.14 110.08 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 112.005 -0.438 . . . . 61.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 64.41 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 61.43 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 60.24 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 63.1 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 73.55 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 71.42 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 65.55 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.11 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 71.33 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 73.55 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.609 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.33 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 71.1 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 72.11 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 62.33 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 54.34 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.635 HG21 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.33 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 71.5 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.582 ' HE3' HG13 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 62.04 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 73.2 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 73.24 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.652 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 62.05 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 63.23 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 61.31 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 72.44 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.03 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 72.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 71.44 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.5 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 64.04 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 63.51 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 35.42 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG13 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 54.21 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 72.0 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 64.25 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.741 HG22 HG11 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 61.5 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 52.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 54.25 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.02 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 43.23 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 34.32 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.691 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.11 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 64.3 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.03 112.322 -167.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 64.24 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 52.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 65.02 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 63.01 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 72.0 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 86' ' ' ALA . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 74.4 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 53.04 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 65.22 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 61.24 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 60.54 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 61.31 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 63.11 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.408 ' HG2' HD11 ' A' ' 81' ' ' LEU . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 73.1 109.935 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 72.14 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.483 ' HG3' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 64.43 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 65.42 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 72.02 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 73.33 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 72.31 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.24 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 34.32 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 72.54 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 53.41 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG21 ' HG3' ' A' ' 63' ' ' GLU . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 65.43 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 72.3 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 71.21 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 50.11 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 53.11 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 53.35 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 73.55 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 65.11 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 116' ' ' LYS . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG13 HD21 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 71.31 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 64.3 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.1 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 61.32 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 61.21 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 72.53 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 51.31 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.689 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 65.43 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.467 HG21 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 71.13 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 72.33 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 71.25 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 53.03 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 53.21 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.588 ' HG3' HG21 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 64.45 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 53.22 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 25.23 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 64.14 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 51.4 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 54.25 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 55.01 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 73.13 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 50.34 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.689 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 64.33 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 55.02 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.41 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.503 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 70.33 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 69' ' ' ILE . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 63.22 112.297 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.32 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG22 HG11 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 62.44 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 60.42 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 72.5 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 52.31 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 70.33 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 65.1 107.267 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 HG22 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 55.41 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.798 HD11 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.744 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 72.53 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.749 ' HE3' HD11 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 41.43 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.33 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 73.32 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.04 110.456 -169.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 73.3 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.22 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.749 HD11 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 54.21 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 63.13 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 72.14 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.798 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 72.24 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 54.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 61.4 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 55.34 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.744 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 61.25 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 64.02 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.13 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.594 HD21 HG13 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 70.54 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 62.04 110.8 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 62.42 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 62.04 111.761 177.722 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.33 0 N-CA-C 111.567 -0.613 . . . . 64.43 111.567 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 52.42 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 65.32 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.445 HG22 HD21 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 35.13 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 63.44 110.873 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.491 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 51.01 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 43.34 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 53.15 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 65.21 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 65.45 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 HD21 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 60.22 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 60.24 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 45.2 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 64.34 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 71.44 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 55.54 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.61 ' HE2' HG13 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 54.1 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 64.33 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' ASP . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 73.23 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 62.31 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 63.41 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 51.35 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 65.42 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 61.21 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 65.41 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 HG11 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 65.21 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 71.42 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 73.12 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 72.04 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 70.21 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 52.52 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 71.1 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 63.34 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 73.52 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 66' ' ' VAL . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 63.15 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 31.1 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 60.04 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 53.42 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 53.44 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 72.03 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.512 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.11 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 64.01 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 55.31 109.974 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.2 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 73.13 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.512 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 65.43 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 72.14 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 64.32 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 62.01 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 72.11 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 71.4 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.445 HD21 HG22 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 65.23 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 63.12 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 73.11 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 73.21 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 53.2 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 71.54 109.591 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.513 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.46 0.238 0 N-CA-C 111.838 -0.505 . . . . 63.01 111.838 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 52.31 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.422 HG13 HG23 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 61.01 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 HG22 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 54.11 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 53.43 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 61.21 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 72.42 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 72.4 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 71.45 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 70.11 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 112' ' ' GLU . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 52.3 109.984 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 51.4 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 71.11 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 62.13 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 64.44 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.53 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 61.42 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 64.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.33 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 62.42 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 52.4 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 74.3 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.31 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 63.11 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 53.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 53.15 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 52.41 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.473 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 71.25 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 64.41 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 71.55 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 62.44 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 55.23 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 53.11 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 72.51 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 72.22 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 62.03 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 71.1 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 69' ' ' ILE . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 60.12 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 63.21 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 64.31 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.819 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.21 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 71.5 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.51 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 61.21 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 54.23 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.479 HH12 HD13 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.13 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.819 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 64.25 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 45.13 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 73.4 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 72.44 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 65.31 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 62.12 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 72.11 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 62.24 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 74.31 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 62.02 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 62.3 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 51.41 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.11 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 54.31 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 63.53 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 73.02 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.599 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.31 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HB3' HD12 ' A' ' 14' ' ' ILE . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 63.01 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 62.12 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 70.24 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 64.43 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 61.33 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 HD21 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 52.33 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 61.2 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 64.31 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 41.1 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' HD13 ' A' ' 23' ' ' LEU . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.21 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.651 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 19' ' ' LEU . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.33 111.593 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 72.23 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 54.32 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' HD23 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 72.23 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 72.22 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.01 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 71.12 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 71.24 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG13 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 36' ' ' ASP . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 71.31 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 54.41 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 71.22 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 43.02 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' HD11 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 72.34 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 62.13 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 74.24 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 64.14 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' HB2' HG11 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.05 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 64.34 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 71.51 110.834 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 70.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 104' ' ' VAL . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 64.24 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 62.41 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 64.33 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 73.21 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 70.14 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 63.03 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 71.23 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 61.02 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 71.54 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 60.23 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 63.43 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 71.12 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 85' ' ' VAL . 32.3 m-20 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 54.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 85' ' ' VAL . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.02 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 60.21 110.368 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 72.22 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 72.44 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 61.45 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 54.02 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 55.03 110.847 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 71.23 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.175 0 N-CA-C 111.002 -0.839 . . . . 71.23 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 54.41 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 72.35 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.11 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 65.43 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 65.24 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 63.32 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 61.01 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 61.13 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 42.31 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 70.11 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 70.11 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 72.02 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 40.2 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 54.1 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 70.54 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 35.02 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 70.53 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 73.53 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 63.3 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 1.9 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 70.2 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 32.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 72.14 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 63.21 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 44.14 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 53.4 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 73.1 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 74.13 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 61.32 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 72.42 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 72.34 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 71.11 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 74.41 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 40.42 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.538 ' HA ' HD22 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 61.14 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 70.13 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 60.14 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 74.23 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 74.53 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 71.41 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 54.31 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 72.12 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 62.24 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 51.44 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 73.53 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 73.12 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 62.02 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 64.2 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 71.42 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 54.43 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 71.12 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 65.12 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 55.23 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 120.435 -0.092 . . . . 62.01 112.968 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 63.44 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 55.33 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 82' ' ' VAL . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 72.1 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 44.25 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 74.45 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.701 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 65.25 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.701 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.12 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 72.54 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 44.45 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' HD23 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 41.14 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 71.23 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 65.42 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 63.43 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 63.3 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.01 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG3' HG11 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 73.01 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 64.14 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 70.4 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.13 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 44.04 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 54.5 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 71.43 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.01 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 64.22 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 51.2 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.41 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 63.35 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 64.12 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 61.24 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 74.01 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 64.43 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 41.13 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 62.34 110.515 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 64.44 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 60.03 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 60.4 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 6' ' ' ILE . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 71.32 109.192 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 72.52 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 43.4 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 64.15 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 42.22 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 61.23 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 70.51 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 71.22 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 71.43 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 65.1 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 62.44 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 72.3 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 61.23 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 62.54 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.02 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 54.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 53.03 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.13 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 72.43 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 73.02 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.758 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 73.13 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.01 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 72.35 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 72.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 65.31 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 50.14 111.139 -174.447 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.559 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.591 HD13 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 72.53 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 62.23 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 62.35 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 64.24 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 74.53 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 63.05 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 64.14 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 63.33 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 63.32 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 71.33 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 71.45 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 73.13 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 73.03 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 71.21 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 71.14 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 54.45 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 HG23 ' A' ' 31' ' ' THR . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 71.14 110.733 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.02 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.405 HG23 HG23 ' A' ' 29' ' ' VAL . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 60.11 109.614 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 71.1 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 62.25 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 54.52 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 71.52 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 63.34 111.621 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 73.31 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 74.1 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 64.41 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 73.43 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 64.42 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 64.42 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 72.24 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 52.55 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 71.12 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 31.05 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 73.24 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 71.51 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.605 HD13 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 53.34 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 64.43 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.33 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 61.2 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 61.02 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 60.45 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 62.31 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 54.33 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 54.44 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 74.41 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 54.21 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 71.3 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 110' ' ' ASP . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 50.5 108.745 171.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 62.34 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 73.35 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 64.23 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 63.33 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 53.31 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 53.44 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 64.52 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 73.05 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 65.25 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.597 HG22 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 61.03 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' H ' ' HA ' ' A' ' 85' ' ' VAL . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 61.34 113.016 169.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 42.14 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 114' ' ' GLU . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 62.31 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.34 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 71.2 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 42.25 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.48 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 112.444 -0.262 . . . . 64.53 112.444 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 73.31 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 73.15 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.14 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 71.1 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 63.41 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 52.31 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 64.04 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 72.52 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 73.23 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.3 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 70.33 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 53.23 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 74.01 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 62.34 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 116' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 54.1 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 70.34 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 74.31 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 64.22 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 62.41 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 72.44 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 44.12 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 72.24 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 73.44 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE2' HG13 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 73.45 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 71.24 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 55.12 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 71.3 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 54.24 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 62.04 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 64.25 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 71.41 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 72.32 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 59' ' ' ARG . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG3' HG21 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 72.14 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 64.45 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 52.43 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 60.11 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG11 HG21 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 64.43 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 73.03 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.48 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.607 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 71.15 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 HG22 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 73.1 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 53.12 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 32.31 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 62.42 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 70.51 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 74.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 65.42 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 64.21 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 71.44 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.34 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 62.23 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.03 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 42.31 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HG11 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 53.35 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 62.02 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 63.03 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 71.22 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 72.32 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.34 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 53.32 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 55.23 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 65.44 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 73.14 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 71.43 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.677 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 52.5 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 61.32 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 72.31 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 72.01 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 112.429 -0.268 . . . . 74.11 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 79' ' ' ARG . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 54.51 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG13 HG23 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 63.35 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 119' ' ' LEU . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 63' ' ' GLU . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 62.23 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.11 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 54.13 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 71.3 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 44.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 62.11 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 64.22 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.24 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.01 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 42.34 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 54.23 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 52.14 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 73.34 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 63.32 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 73.12 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 64.23 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 72.54 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 73.32 111.444 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 61.43 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 61.34 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 62.1 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 74.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG2' HG13 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 71.01 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 73.51 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 64.31 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 72.13 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 60.12 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 64.25 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HB2' HG11 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 65.32 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 52.53 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 64.45 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG22 HG11 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 63.23 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 54.41 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 53.35 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 73.54 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 74.24 107.246 171.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 71.42 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 70.33 111.448 -163.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.641 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.04 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.641 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 61.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG2' ' HB1' ' A' ' 86' ' ' ALA . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 54.12 112.78 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.15 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 63.13 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.465 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 73.0 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 64.24 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 61.35 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 40.22 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.494 HG21 HG11 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 53.33 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.572 HG22 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 70.03 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.02 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 61.31 110.05 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 60.31 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.12 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 65.35 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 54.45 111.242 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 61.51 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 73.43 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 83' ' ' ILE . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.22 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.685 HD21 HG13 ' A' ' 22' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 62.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 125' ' ' LYS . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 124' ' ' GLU . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 71.34 111.318 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 64.45 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.939 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.15 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.561 HD13 HG22 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 64.11 109.336 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.573 HG21 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 74.53 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 60.14 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 70.1 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 60.03 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 43.04 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 72.21 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG21 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 64.0 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 74.44 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 60.32 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 123' ' ' LEU . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 54.1 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 72.44 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.605 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 74.43 111.71 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 60.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 62.13 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 64.31 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 70.15 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 70.43 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.11 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 42.33 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' HB ' HG23 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 61.12 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 61.21 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 70.3 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.502 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG3' HG21 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 71.52 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 70.12 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.15 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 71.33 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 73.31 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 71.32 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.768 HG22 HG11 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 45.33 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.11 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 63.53 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 61.25 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 53.32 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 71.43 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.561 HG22 HD13 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.628 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.13 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 52.42 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 71.3 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 65.23 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 73.14 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 64.32 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 64.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 74.31 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 71.43 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 54.22 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.704 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 73.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 71.21 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 61.21 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 72.34 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 62.41 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.543 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 45.43 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.702 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 74.25 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 72.14 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 54.23 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 70.14 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.54 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 64.12 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 54.32 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 73.32 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 54.54 113.814 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 71.35 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 61.43 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 51.54 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 55.13 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 73.5 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 54.35 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 53.43 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 63.42 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 61.42 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG21 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.24 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 65.23 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.34 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.42 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 62.05 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 64.33 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 72.42 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.434 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 64.42 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 71.34 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.2 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 61.03 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 54.23 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 62.03 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 61.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 51.31 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 61.53 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.756 ' HG2' HG22 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 70.51 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 43' ' ' GLU . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 73.12 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 72.1 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 72.53 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 53.43 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.24 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 70.43 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 64.4 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 61.51 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 45.12 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 73.31 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 63.22 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 64.22 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 70.02 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 25.24 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 71.44 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 64.43 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 72.43 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 109' ' ' THR . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.33 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.24 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 72.32 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.03 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 70.32 111.749 -175.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.42 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 72.12 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 72.31 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 62.22 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.15 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 71.41 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' A' ' 100' ' ' LYS . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.68 ' HG2' HD11 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 65.14 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 72.44 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HG3' HG21 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 72.13 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 72.4 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 61.53 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 52.34 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 73.01 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 63.21 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 54.54 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 31.41 110.146 178.446 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 113.162 0.025 . . . . 71.11 113.162 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 71.21 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 63.2 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 61.44 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 55.12 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 53.44 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 62.13 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 53.42 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 73.31 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 51.11 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 64.24 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 64.52 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 63.34 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 62.4 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 65.15 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 53.53 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 72.15 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 61.43 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 72.21 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 55.04 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG21 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 ' HB ' HD13 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 64.13 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.621 ' H ' HG23 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 63.54 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.692 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 72.01 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 54.44 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 52.53 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 63.32 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 71.11 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 72.53 110.969 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 61.13 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.23 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.14 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 53.42 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 44.43 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 71.3 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 64.15 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 74.1 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 62.33 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 64.2 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 74.3 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 65.52 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 54.34 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.679 HD11 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG11 HD13 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 71.12 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 71.22 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 63.23 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 45.55 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 55.24 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 91' ' ' LEU . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 73.15 109.777 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 73.1 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 73.03 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 72.2 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.11 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.828 HD13 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 73.41 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 74.23 109.899 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 53.41 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 62.44 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.679 ' HD2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 65.25 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 62.11 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 72.24 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 54.34 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 72.54 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 73.13 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 72.13 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.32 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.635 HD22 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 71.44 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 126' ' ' VAL . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 74.43 110.074 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.405 ' H ' ' HB2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.635 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 71.01 112.798 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.767 0 N-CA-C 111.306 -0.718 . . . . 71.42 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 62.33 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG11 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 41.44 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 64.21 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 72.51 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 44.1 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 65.42 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 72.45 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 64.34 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 65.32 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 50.33 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 71.43 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 53.53 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.04 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 71.31 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.572 HH21 HD22 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 63.03 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 43.41 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 72.11 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 72.13 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 62.32 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 61.34 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 64.04 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 51.13 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 63.03 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 64.55 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.634 ' HB ' HG22 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 65.32 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 73.05 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.33 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 71.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 71.24 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 71.31 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 44.43 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.12 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 62.44 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 53.55 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 64.44 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 74.11 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 55.35 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.57 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.04 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' HG13 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 64.2 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 60.13 110.91 -169.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 43.15 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 60.42 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 70.43 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 65.02 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 65.04 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 63.13 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 72.42 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 74.12 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 54.53 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 71.24 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 62.3 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 65.45 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 61.15 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 62.53 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.01 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 72.14 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.662 HD13 HG11 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 73.54 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.681 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 53.42 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 54.52 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 64.42 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 61.44 111.859 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 50.52 110.948 178.067 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.504 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 65.35 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.02 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.74 HG22 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 73.32 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 63.34 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 70.51 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.03 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 71.01 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 61.14 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.23 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 70.43 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 70.11 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 55.22 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.1 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 63.33 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.13 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 64.01 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 50.41 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 70.0 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 72.33 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 71.13 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 71.24 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 71.52 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 64.01 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 72.04 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 70.1 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 52.55 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 43.13 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 61.12 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 55.15 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 61.32 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 52.01 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.1 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 71.41 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 63.23 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.24 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.692 HG21 HD13 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 71.33 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 72.52 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 71.23 109.973 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.551 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 62.41 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 63.25 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 41.42 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 64.23 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HD3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.25 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 71.45 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 110' ' ' ASP . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 45.25 110.085 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 71.05 109.219 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' NZ ' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 71.41 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 63.42 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 73.21 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 63.12 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG11 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 61.12 108.41 165.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 64.2 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 65.22 110.764 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 73.03 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 61.33 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.11 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HB2' HG21 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 64.42 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 74.24 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 73.12 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 63.31 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.525 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 61.43 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 42.53 114.36 174.889 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 113.749 0.259 . . . . 44.33 113.749 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 65.55 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HG23 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 71.24 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.1 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 43.33 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 63.21 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 55.4 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 70.34 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG13 HD21 ' A' ' 123' ' ' LEU . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 52.4 109.892 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.11 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 72.14 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB3' HD23 ' A' ' 123' ' ' LEU . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 61.42 109.242 -174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 55.43 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 45.03 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 62.42 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 55.31 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 54.3 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 70.13 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 65.44 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 73.01 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HG2' HG11 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 73.5 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 63.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 64.52 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 62.55 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 62.12 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 50.55 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 54.03 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 71.41 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 73.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 71.31 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 62.12 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 62.01 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.03 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 35.32 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 73.33 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 72.42 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 54.13 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 64.03 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' HG21 ' A' ' 8' ' ' VAL . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.11 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 62.21 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 65.42 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 62.43 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 53.0 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.737 HG11 HG22 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.25 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD11 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 72.42 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.506 HG12 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 70.45 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HB2' HG12 ' A' ' 108' ' ' VAL . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.04 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.13 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 71.31 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 71.42 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 55.51 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 64.33 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 61.34 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' O ' HD13 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.24 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.607 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 61.22 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.433 ' HE3' HG23 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 54.01 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 54.2 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.607 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 54.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 61.14 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.504 HG13 HG23 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.757 ' HG2' HD11 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 51.42 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.484 HG21 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 62.45 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 62.41 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HG3' HD12 ' A' ' 14' ' ' ILE . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 62.43 112.56 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 53.3 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 73.33 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 50.42 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 73.22 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 71.24 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 72.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 22' ' ' VAL . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 63.35 110.767 174.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 62.12 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 6' ' ' ILE . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.746 HD13 HG22 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 50.32 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 62.3 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 55.04 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HD13 ' A' ' 18' ' ' LEU . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.14 109.149 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 61.44 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 62.53 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 14' ' ' ILE . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 62.31 111.28 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 73.55 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 44.43 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 55.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.606 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 52.45 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 72.12 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 61.32 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 62.43 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 72.1 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 72.23 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 55.33 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 61.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 74.22 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 63.02 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.34 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 73.23 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 64.01 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 65.05 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.13 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 71.43 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 63.33 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 63.24 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 74.52 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 71.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 61.45 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 71.14 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 71.34 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 64.42 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 62.02 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.471 ' HD3' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 71.24 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 61.42 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 70.3 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 64.1 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 65.21 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.471 HG21 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 62.53 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 70.42 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 65.31 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.625 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 71.23 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 61.41 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 63.23 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 71.3 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' HG11 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 72.11 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 55.31 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 62.12 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 72.12 109.997 169.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 55.33 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 74.32 110.867 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 112.387 -0.285 . . . . 14.12 112.387 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.429 HG21 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 53.5 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.44 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 60.53 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 74.01 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 55.35 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 72.52 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 51.23 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 70.51 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 72.14 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.623 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG13 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 64.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 62.42 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.21 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 63.13 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 71.14 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 54.44 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 62.1 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 50.11 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 70.42 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 53.33 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 73.31 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.645 HG23 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 62.42 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.04 112.895 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HB3' HD11 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.443 ' NE2' ' HD2' ' A' ' 52' ' ' ARG . 4.8 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 34.31 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD2' ' NE2' ' A' ' 50' ' ' GLN . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 71.24 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 63.45 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 64.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 71.41 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 74.44 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 65.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.654 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 71.31 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 74.01 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.03 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 71.14 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 65.02 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 63.52 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 52.42 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.58 HG11 HG22 ' A' ' 104' ' ' VAL . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 71.11 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.0 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 44.32 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 73.33 110.755 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.33 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG23 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 61.31 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 HG13 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.35 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 72.34 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 71.4 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 92' ' ' LEU . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.11 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 64.24 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 63.32 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 55.44 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 65.1 112.727 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.541 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.532 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 63.43 111.225 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 64.51 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 63.4 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 65.21 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 64.11 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 64.04 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.12 109.602 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 64.51 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.443 ' HG3' HG21 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.13 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 45.45 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 HG13 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 53.5 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 64.12 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtm . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.12 -0.326 . . . . 72.42 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.26 41.2 26.85 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.14 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 61.25 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 55.14 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 50.32 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.12 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.53 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.25 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' HD13 ' A' ' 18' ' ' LEU . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 72.13 109.366 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 61.43 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 14' ' ' ILE . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 64.4 111.234 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 72.53 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 63.52 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 63.02 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 71.21 111.071 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 73.44 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 54.45 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 60.41 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 65.42 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 74.53 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.473 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 64.32 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 71.41 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 71.43 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 64.41 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 31.51 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.41 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 64.44 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 63.34 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 71.33 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.04 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 42.12 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 70.02 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 72.35 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 54.5 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 71.41 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 54.31 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 63.44 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG21 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 53.01 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 41.11 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 52.55 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 71.35 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 65.2 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 63.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 61.03 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 71.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 64.44 111.063 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 52.11 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 61.32 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 64.02 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 62.45 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 70.53 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 42.55 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 73.2 110.89 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.401 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 58.4 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 64.42 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 89' ' ' GLN . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 62.45 110.707 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 73.5 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.821 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.12 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 53.53 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 43.43 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 45.13 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' HB2' HH12 ' A' ' 79' ' ' ARG . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 73.31 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.23 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 74.11 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 71.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 34.51 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 52.52 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HB2' HG21 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 73.53 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 62.23 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 72.54 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' HG2' HG12 ' A' ' 126' ' ' VAL . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 54.31 110.353 -175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.406 HG12 ' HG2' ' A' ' 125' ' ' LYS . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . 81.48 82.35 0.83 Allowed Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.2 t -150.03 9.67 0.68 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.161 0.584 . . . . 60.31 111.513 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.6 tp -167.25 159.66 12.94 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.601 0.36 . . . . 65.41 110.908 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.49 142.51 22.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.929 1.292 . . . . 64.4 112.197 166.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.02 2.43 43.4 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 115.695 -0.684 . . . . 55.11 110.462 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -140.63 139.81 34.92 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.737 0.815 . . . . 72.0 109.46 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -74.79 100.37 4.01 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.6 -0.889 . . . . 62.44 108.6 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.65 87.87 3.93 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.267 1.027 . . . . 74.45 109.833 -169.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -76.01 -51.4 12.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.811 -0.811 . . . . 65.15 108.811 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 CA--C 1.55 0.956 0 C-N-CA 124.338 1.055 . . . . 53.05 108.49 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HB2' HG21 ' A' ' 126' ' ' VAL . 1.2 mpt? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.187 -0.301 . . . . 63.21 110.187 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.43 60.94 3.62 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.372 -0.376 . . . . 53.23 113.166 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 70.01 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 72.41 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 63.03 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 71.3 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 71.2 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 72.52 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 72.53 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.1 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 71.01 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.15 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 62.23 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HG23 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 33.52 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 71.42 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 61.1 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 HG22 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 54.32 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 61.43 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 71.41 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 60.0 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 53.03 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 64.12 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.33 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 73.43 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 55.41 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 73.14 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 64.13 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 63.12 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 64.42 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 63.41 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.668 HG23 HG11 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 43.23 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 72.12 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 63.32 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 50.54 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 73.33 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 73.51 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.34 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 71.02 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.521 HG23 HG21 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 44.52 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 70.11 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 74.53 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH2' HD22 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 72.34 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 52.55 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 71.35 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 64.13 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 51.32 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.559 HD21 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 54.15 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 53.13 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.699 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 73.45 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 62.34 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.15 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 61.42 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 61.34 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HG21 ' A' ' 70' ' ' VAL . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 72.43 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 33.11 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 64.43 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 71.14 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.14 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 71.42 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 55.35 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 55.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 71.5 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 73.03 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 61.12 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 1' ' ' MET . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.14 110.08 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . -179.69 40.97 0.08 OUTLIER Glycine 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.4 t -161.36 150.65 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.974 0.91 . . . . 51.1 110.246 -174.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.3 tp 68.01 136.45 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.968 1.707 . . . . 55.11 111.577 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.34 175.13 13.73 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.032 0.933 . . . . 75.03 110.101 -171.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -91.66 55.53 2.75 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.842 0.829 . . . . 75.33 109.338 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.2 145.72 47.82 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.36 -0.836 . . . . 72.45 109.16 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.98 112.36 3.84 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.536 -1.283 . . . . 73.24 107.536 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -70.72 91.43 0.82 Allowed 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.918 -0.583 . . . . 64.31 109.579 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.86 98.28 0.72 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.649 -0.705 . . . . 74.54 109.824 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.3 m80 . . . . . 0 CA--C 1.552 1.028 0 CA-C-O 118.405 -0.807 . . . . 74.12 108.938 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.342 0.591 . . . . 74.13 110.152 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.46 48.82 0.11 Allowed Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.891 -0.595 . . . . 61.0 112.005 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 64.41 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 61.43 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 60.24 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 63.1 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 73.55 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 71.42 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 65.55 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.11 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 71.33 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 73.55 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.609 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.33 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 71.1 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 72.11 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 62.33 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 54.34 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.635 HG21 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.33 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 71.5 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.582 ' HE3' HG13 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 62.04 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 73.2 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 73.24 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.652 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 62.05 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 63.23 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 61.31 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 72.44 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.03 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 72.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 71.44 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.5 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 64.04 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 63.51 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 35.42 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG13 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 54.21 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 72.0 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 64.25 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.741 HG22 HG11 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 61.5 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 52.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 54.25 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.02 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 43.23 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 34.32 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.691 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.11 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 64.3 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.03 112.322 -167.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 64.24 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 52.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 65.02 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 63.01 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 72.0 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 86' ' ' ALA . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 74.4 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 53.04 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 65.22 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 61.24 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 60.54 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 61.31 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 63.11 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 130' ' ' GLU . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 73.1 109.935 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 72.14 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.483 ' HG3' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 64.43 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 65.42 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 72.02 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 73.33 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 72.31 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.24 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 34.32 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' THR . . . 70.31 57.52 6.72 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.4 t -86.08 177.28 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.989 0.516 . . . . 74.3 110.949 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 79' ' ' ARG . 7.6 mp -93.81 165.55 12.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.142 0.977 . . . . 73.33 110.082 172.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.437 ' HB2' ' NH2' ' A' ' 107' ' ' ARG . 26.4 mt-10 -79.33 99.37 7.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.757 -0.831 . . . . 52.2 108.757 174.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -86.95 14.82 6.69 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.747 0.277 . . . . 73.43 111.747 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -132.11 -46.57 0.93 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.12 0.568 . . . . 63.15 110.07 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.42 101.73 3.0 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.336 -0.616 . . . . 71.41 109.336 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -102.29 -11.76 18.47 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.18 0.992 . . . . 75.43 111.062 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.4 t60 70.64 -68.67 0.2 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.583 1.553 . . . . 72.22 110.936 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 123.918 0.887 . . . . 74.0 109.811 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.174 -0.306 . . . . 71.31 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.58 54.59 2.2 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 72.54 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 53.41 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG21 ' HG3' ' A' ' 63' ' ' GLU . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 65.43 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 72.3 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 71.21 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 50.11 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 53.11 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 53.35 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 73.55 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 65.11 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 116' ' ' LYS . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG13 HD21 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 71.31 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 64.3 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.1 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 61.32 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 61.21 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 72.53 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 51.31 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.689 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 65.43 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.467 HG21 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 71.13 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 72.33 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 71.25 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 53.03 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 53.21 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.588 ' HG3' HG21 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 64.45 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 53.22 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 25.23 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 64.14 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 51.4 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 54.25 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 55.01 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 73.13 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 50.34 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.689 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 64.33 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 55.02 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.41 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.503 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 70.33 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 69' ' ' ILE . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 63.22 112.297 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.32 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG22 HG11 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 62.44 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 60.42 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 72.5 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 52.31 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 70.33 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.694 ' HE ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 65.1 107.267 173.1 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 HG22 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 55.41 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.798 HD11 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.744 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 72.53 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.749 ' HE3' HD11 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 41.43 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.33 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 73.32 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.04 110.456 -169.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 73.3 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.22 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.749 HD11 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 54.21 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 63.13 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 72.14 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.798 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 72.24 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 54.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 61.4 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 55.34 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.744 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 61.25 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 64.02 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.13 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.594 HD21 HG13 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 70.54 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 62.04 110.8 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 62.42 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.27 131.91 3.0 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 62.04 111.761 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.1 m -148.18 115.86 6.33 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.084 0.953 . . . . 70.01 109.559 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.694 HD13 ' HE ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -97.7 98.02 9.51 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.163 -0.68 . . . . 71.1 109.163 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 135.28 10.46 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.673 -0.491 . . . . 75.23 109.673 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 107' ' ' ARG . 22.2 p80 -152.32 45.95 0.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.01 0.524 . . . . 74.05 112.124 -171.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -60.74 93.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.64 0.733 . . . . 62.02 110.779 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -149.29 5.12 0.63 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.565 1.146 . . . . 75.42 109.791 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.99 148.76 0.07 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.638 1.575 . . . . 71.13 111.529 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -143.9 -66.07 0.36 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.399 -0.963 . . . . 71.21 108.399 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 107.615 -1.254 . . . . 61.41 107.615 175.209 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.002 0.429 . . . . 71.22 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -114.54 76.01 0.25 Allowed Glycine 0 C--N 1.342 0.897 0 N-CA-C 111.567 -0.613 . . . . 64.43 111.567 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 52.42 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 65.32 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG22 HD21 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 35.13 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 63.44 110.873 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.491 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 51.01 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 43.34 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 53.15 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 65.21 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 65.45 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 HD21 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 60.22 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 60.24 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 45.2 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 64.34 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 71.44 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 55.54 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.61 ' HE2' HG13 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 54.1 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 64.33 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' ASP . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 73.23 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 62.31 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 63.41 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 51.35 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 65.42 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 61.21 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 65.41 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 HG11 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 65.21 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 71.42 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 73.12 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 72.04 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 70.21 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 52.52 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 71.1 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 63.34 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 73.52 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 66' ' ' VAL . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 63.15 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 31.1 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 60.04 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 53.42 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 53.44 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 72.03 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.512 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.11 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 64.01 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 55.31 109.974 -176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.2 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 73.13 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 65.43 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 72.14 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 64.32 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 62.01 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 72.11 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 71.4 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.445 HD21 HG22 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 65.23 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 63.12 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 73.11 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 73.21 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 53.2 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 168.22 45.49 0.03 OUTLIER Glycine 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 71.54 109.591 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.0 p -155.94 157.39 36.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.074 0.95 . . . . 63.42 110.312 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 129' ' ' LEU . 2.1 pt? -119.31 147.67 44.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.224 1.01 . . . . 70.21 109.243 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -111.08 -76.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.698 0.799 . . . . 74.44 111.204 -172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -109.1 24.95 12.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.721 1.208 . . . . 71.1 111.64 -166.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.45 ' HB3' HD12 ' A' ' 129' ' ' LEU . 73.2 t60 -68.79 100.51 1.18 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.241 -0.652 . . . . 73.42 109.241 171.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -73.51 143.67 46.46 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.795 0.838 . . . . 74.15 110.437 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -163.45 120.02 1.77 Allowed 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.792 0.683 . . . . 72.25 109.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.98 147.54 26.17 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.544 -0.539 . . . . 73.55 109.544 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.4 p80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 122.816 0.447 . . . . 73.44 110.547 175.819 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.292 -0.633 . . . . 63.21 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -107.8 40.96 2.34 Favored Glycine 0 C--N 1.344 0.979 0 N-CA-C 111.838 -0.505 . . . . 63.01 111.838 176.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 52.31 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG13 HG23 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 61.01 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 HG22 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 54.11 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 53.43 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 61.21 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 72.42 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 72.4 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 71.45 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 70.11 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 112' ' ' GLU . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 52.3 109.984 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 51.4 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 71.11 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 62.13 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 64.44 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.53 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 61.42 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 64.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.33 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 62.42 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 52.4 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 74.3 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.31 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 63.11 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 53.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 53.15 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 52.41 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.473 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 71.25 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 64.41 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 71.55 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 62.44 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 55.23 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 53.11 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 72.51 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 72.22 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 62.03 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 71.1 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 69' ' ' ILE . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 60.12 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 63.21 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 64.31 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.819 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.21 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 71.5 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.51 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 61.21 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 54.23 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.479 HH12 HD13 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.13 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.819 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 64.25 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 45.13 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 73.4 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 72.44 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 65.31 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 62.12 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 72.11 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 62.24 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 74.31 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 62.02 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 62.3 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 51.41 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.11 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 54.31 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 63.53 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 73.02 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.599 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.31 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HB3' HD12 ' A' ' 14' ' ' ILE . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 63.01 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 62.12 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 70.24 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 64.43 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 61.33 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' HD3' ' HB3' ' A' ' 130' ' ' GLU . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.97 -116.73 5.49 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.8 t 62.28 -176.91 0.13 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.659 1.184 . . . . 53.32 111.955 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.2 140.38 39.25 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.325 -0.991 . . . . 64.25 108.325 169.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 125' ' ' LYS . 4.1 tm-20 -175.97 149.08 0.88 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.286 -0.635 . . . . 73.52 109.286 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 67.8 t60 78.63 -58.86 0.43 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.901 1.68 . . . . 73.15 111.884 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 50.2 -175.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.867 1.667 . . . . 75.23 112.469 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -143.59 -83.25 0.16 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 168.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -147.45 161.44 41.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.609 -0.886 . . . . 65.12 108.609 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -156.53 139.51 15.36 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.893 -1.151 . . . . 64.21 107.893 166.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 CA--C 1.554 1.103 0 N-CA-C 108.92 -0.77 . . . . 73.21 108.92 174.438 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.72 0.295 . . . . 63.3 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.19 54.24 2.91 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 HD21 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 52.33 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 61.2 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 64.31 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 41.1 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' HD13 ' A' ' 23' ' ' LEU . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.21 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.651 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 19' ' ' LEU . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.33 111.593 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 72.23 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 54.32 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' HD23 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 72.23 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 72.22 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.01 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 71.12 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 71.24 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG13 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 36' ' ' ASP . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 71.31 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 54.41 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 71.22 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 43.02 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' HD11 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 72.34 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 62.13 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 74.24 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 64.14 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' HB2' HG11 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.05 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 64.34 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 71.51 110.834 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 70.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 104' ' ' VAL . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 64.24 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 62.41 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 64.33 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 73.21 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 70.14 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 63.03 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 71.23 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 61.02 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 71.54 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 60.23 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 63.43 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 71.12 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 85' ' ' VAL . 32.3 m-20 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 54.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 85' ' ' VAL . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.02 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 60.21 110.368 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 72.22 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 72.44 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 61.45 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 54.02 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 55.03 110.847 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 71.23 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.23 29.74 73.38 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.0 p -158.17 165.3 35.26 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 117.537 0.668 . . . . 61.53 111.188 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 2.4 pt? -150.87 164.0 37.33 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.87 0.868 . . . . 61.11 109.24 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -81.2 161.5 23.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.232 0.539 . . . . 53.3 111.548 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -83.96 76.84 10.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.143 -0.935 . . . . 70.41 108.483 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -91.34 95.7 10.14 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.362 -0.977 . . . . 75.52 108.362 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -153.73 119.31 5.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.918 0.887 . . . . 64.21 109.135 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -61.99 135.27 57.47 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.397 0.679 . . . . 73.03 111.771 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.45 109.8 4.19 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.095 0.958 . . . . 62.43 109.143 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.791 -0.818 . . . . 53.14 108.791 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mtm . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.763 -0.829 . . . . 72.02 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.85 79.9 0.1 OUTLIER Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.002 -0.839 . . . . 71.23 111.002 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 54.41 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 72.35 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.11 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 65.43 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 65.24 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 63.32 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 61.01 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 61.13 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 42.31 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 70.11 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 70.11 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 72.02 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 40.2 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 54.1 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 70.54 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 35.02 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 70.53 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 73.53 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 63.3 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 1.9 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 70.2 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 32.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 72.14 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 63.21 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 44.14 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 53.4 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 73.1 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 74.13 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 61.32 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 72.42 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 72.34 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 71.11 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 74.41 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 40.42 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.538 ' HA ' HD22 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 61.14 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 70.13 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 60.14 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 74.23 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 74.53 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 71.41 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 54.31 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 72.12 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 62.24 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 51.44 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 73.53 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 73.12 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 62.02 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 64.2 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 71.42 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 54.43 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 71.12 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 65.12 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 55.23 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 3' ' ' THR . . . 140.02 -100.37 0.28 Allowed Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 m 67.95 -176.77 0.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.068 1.347 . . . . 65.31 111.505 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.438 HD13 ' NH1' ' A' ' 79' ' ' ARG . 2.3 pt? -160.43 -4.03 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.095 0.558 . . . . 72.54 112.229 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.15 74.74 9.98 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.223 -0.923 . . . . 75.01 109.924 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -166.75 87.25 0.31 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.437 1.095 . . . . 72.4 109.148 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -97.35 -35.64 10.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.806 0.843 . . . . 74.41 110.223 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 80.48 -40.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 126.064 1.746 . . . . 50.33 111.279 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -140.7 121.16 14.09 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.724 -0.843 . . . . 75.31 108.724 170.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -68.83 133.21 47.97 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.253 0.621 . . . . 72.41 109.825 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--O 1.248 0.986 0 N-CA-C 107.938 -1.134 . . . . 73.51 107.938 172.854 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 110.718 -0.104 . . . . 75.3 110.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.1 37.68 87.45 Favored Glycine 0 C--N 1.355 1.604 0 O-C-N 123.561 0.538 . . . . 62.01 112.968 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 63.44 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 55.33 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 82' ' ' VAL . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 72.1 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 44.25 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 74.45 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.701 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 65.25 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.701 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.12 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 72.54 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 44.45 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' HD23 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 41.14 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 71.23 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 65.42 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 63.43 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 63.3 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.01 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG3' HG11 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 73.01 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 64.14 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 70.4 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.13 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 44.04 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 54.5 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 71.43 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.01 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 64.22 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 51.2 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.41 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 63.35 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 64.12 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 61.24 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 74.01 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 64.43 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 41.13 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 62.34 110.515 175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 64.44 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 60.03 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 60.4 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 6' ' ' ILE . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 71.32 109.192 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 72.52 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 43.4 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 64.15 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 42.22 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 61.23 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 70.51 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 71.22 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 71.43 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 65.1 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 62.44 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 72.3 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 61.23 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 62.54 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.02 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 54.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 53.03 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.13 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 72.43 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 73.02 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.758 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 73.13 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.01 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 72.35 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB3' HD23 ' A' ' 129' ' ' LEU . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 72.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 65.31 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.45 30.94 0.02 OUTLIER Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 50.14 111.139 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.2 t -164.37 127.83 2.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.13 0.572 . . . . 73.31 110.1 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 121' ' ' GLU . 32.3 tp -155.82 132.23 10.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.644 0.777 . . . . 75.25 110.629 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.27 84.92 0.11 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.57 1.548 . . . . 73.33 112.648 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -91.71 -0.85 57.58 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.949 0.899 . . . . 73.42 110.849 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -85.48 48.65 1.62 Allowed 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.596 1.189 . . . . 63.42 109.55 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.37 11.47 4.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.496 1.518 . . . . 73.04 107.662 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -89.51 80.64 6.67 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.322 1.049 . . . . 73.45 110.84 -166.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -132.79 -22.36 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.178 -0.919 . . . . 74.33 108.81 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.236 1.015 . . . . 73.54 108.58 -176.742 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.559 -0.163 . . . . 62.11 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.18 31.67 33.9 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.591 HD13 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 72.53 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 62.23 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 62.35 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 64.24 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 74.53 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 63.05 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 64.14 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 63.33 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 63.32 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 71.33 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 71.45 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 73.13 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 73.03 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 71.21 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 71.14 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 54.45 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 HG23 ' A' ' 31' ' ' THR . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 71.14 110.733 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.02 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.405 HG23 HG23 ' A' ' 29' ' ' VAL . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 60.11 109.614 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 71.1 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 62.25 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 54.52 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 71.52 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 63.34 111.621 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 73.31 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 74.1 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 64.41 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 73.43 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 64.42 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 64.42 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 72.24 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 52.55 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 71.12 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 31.05 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 73.24 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 71.51 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.605 HD13 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 53.34 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 64.43 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.33 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 61.2 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 61.02 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 60.45 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 62.31 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 54.33 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 54.44 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 74.41 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 54.21 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 71.3 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 110' ' ' ASP . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 50.5 108.745 171.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 62.34 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 73.35 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 64.23 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 63.33 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 53.31 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 53.44 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 64.52 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 73.05 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 65.25 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.597 HG22 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 61.03 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' H ' ' HA ' ' A' ' 85' ' ' VAL . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 61.34 113.016 169.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 42.14 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 114' ' ' GLU . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 62.31 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.34 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 71.2 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 42.25 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.01 19.32 22.35 Favored Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.1 p -147.45 148.53 31.36 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.14 -1.059 . . . . 64.42 108.14 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.598 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 41.6 tp -173.67 -64.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.032 0.833 . . . . 74.34 109.203 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 58.23 91.69 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.572 1.17 . . . . 63.1 110.775 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -105.87 110.88 23.32 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.812 -0.81 . . . . 74.1 108.812 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.97 113.2 4.25 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.874 0.87 . . . . 75.13 110.037 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -159.38 -44.55 0.05 Allowed 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.193 0.597 . . . . 61.14 110.196 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 67.38 168.59 0.25 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.818 1.247 . . . . 72.41 111.999 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -117.39 42.93 2.45 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.582 1.153 . . . . 74.42 108.476 175.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 N--CA 1.478 0.974 0 C-N-CA 125.652 1.581 . . . . 61.43 108.152 -165.261 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.453 -0.202 . . . . 75.54 110.453 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -83.67 73.97 2.59 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 64.53 112.444 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 73.31 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 73.15 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.14 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 71.1 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 63.41 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 52.31 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 64.04 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 72.52 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 73.23 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.3 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 70.33 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 53.23 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 74.01 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 62.34 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 116' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 54.1 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 70.34 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 74.31 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 64.22 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 62.41 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 72.44 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 44.12 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 72.24 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 73.44 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE2' HG13 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 73.45 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 71.24 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 55.12 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 71.3 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 54.24 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 62.04 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 64.25 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 71.41 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 72.32 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 59' ' ' ARG . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG3' HG21 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 72.14 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 64.45 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 52.43 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 60.11 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG11 HG21 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 64.43 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 73.03 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.48 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.607 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 71.15 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 HG22 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 73.1 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 53.12 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 32.31 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 62.42 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 70.51 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 74.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 65.42 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 64.21 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 71.44 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.34 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 62.23 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.03 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 42.31 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HG11 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 53.35 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 62.02 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 63.03 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 71.22 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 72.32 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.34 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 53.32 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 55.23 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 65.44 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 73.14 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 71.43 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.677 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 52.5 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 61.32 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 72.31 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 72.01 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 138.67 110.55 0.94 Allowed Glycine 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.427 ' H ' HD22 ' A' ' 122' ' ' LEU . 41.2 p -142.95 -178.97 6.08 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.472 0.709 . . . . 52.24 111.276 -174.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 31.0 tp -131.61 140.59 49.45 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.604 0.762 . . . . 65.31 109.526 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -47.16 0.14 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.25 -0.886 . . . . 72.33 111.099 -173.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -91.73 104.45 16.9 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.483 -0.932 . . . . 73.45 108.483 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -151.69 22.39 0.7 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.24 0.83 . . . . 74.03 113.24 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -76.99 -11.4 59.8 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.184 0.439 . . . . 74.25 112.184 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -63.26 95.56 0.09 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.109 0.964 . . . . 74.23 111.825 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -172.38 101.32 0.15 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.445 1.098 . . . . 73.34 109.111 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 CA--C 1.555 1.145 0 CA-C-O 119.005 -0.521 . . . . 74.53 110.298 173.906 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.741 -0.466 . . . . 73.34 109.741 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.06 81.51 1.17 Allowed Glycine 0 C--N 1.358 1.783 0 O-C-N 123.162 0.289 . . . . 74.11 112.429 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 79' ' ' ARG . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 54.51 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG13 HG23 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 63.35 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 119' ' ' LEU . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 63' ' ' GLU . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 62.23 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.11 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 54.13 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 71.3 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 44.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 62.11 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 64.22 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.24 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.01 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 42.34 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 54.23 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 52.14 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 73.34 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 63.32 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 73.12 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 64.23 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 72.54 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 73.32 111.444 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 61.43 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 61.34 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 62.1 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 74.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG2' HG13 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 71.01 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 73.51 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 64.31 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 72.13 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 60.12 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 64.25 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HB2' HG11 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 65.32 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 52.53 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 64.45 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG22 HG11 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 63.23 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 54.41 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 53.35 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 73.54 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 74.24 107.246 171.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 71.42 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 70.33 111.448 -163.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.641 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.04 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.641 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 61.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG2' ' HB1' ' A' ' 86' ' ' ALA . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 54.12 112.78 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.15 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 63.13 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.465 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 73.0 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 64.24 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 61.35 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 40.22 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.494 HG21 HG11 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 53.33 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.572 HG22 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 70.03 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.02 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 61.31 110.05 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 60.31 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.12 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 65.35 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 54.45 111.242 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 61.51 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 73.43 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 128' ' ' SER . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.22 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.685 HD21 HG13 ' A' ' 22' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 62.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 125' ' ' LYS . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 124' ' ' GLU . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 71.34 111.318 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 64.45 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.86 -59.19 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.649 ' HA ' HD22 ' A' ' 122' ' ' LEU . 34.9 p -173.93 -57.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.889 0.476 . . . . 64.13 111.669 -174.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 tp 58.4 31.28 20.75 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.2 1.4 . . . . 75.54 111.755 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 54.15 47.6 22.83 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.246 1.418 . . . . 72.44 114.44 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.2 t60 71.07 -4.65 1.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.617 0.969 . . . . 74.43 113.617 164.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.1 m170 62.61 -171.93 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.597 1.159 . . . . 73.21 111.963 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -81.68 77.25 8.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.089 -0.708 . . . . 72.23 109.089 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -136.22 88.41 2.38 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.256 0.622 . . . . 75.45 109.613 -176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -54.51 105.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.12 0.968 . . . . 75.42 110.359 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 124.972 1.309 . . . . 54.22 109.526 -171.881 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' HG11 ' A' ' 126' ' ' VAL . 77.1 mtp . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.214 -0.291 . . . . 72.14 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.99 36.33 52.13 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 -173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.15 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.561 HD13 HG22 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 64.11 109.336 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG21 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 74.53 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 60.14 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 70.1 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 60.03 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 43.04 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 72.21 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG21 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 64.0 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 74.44 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 60.32 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 123' ' ' LEU . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 54.1 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 72.44 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.605 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 74.43 111.71 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 60.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 62.13 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 64.31 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 70.15 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 70.43 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.11 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 42.33 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' HB ' HG23 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 61.12 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 61.21 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 70.3 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG3' HG21 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 71.52 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 70.12 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.15 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 71.33 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 73.31 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 71.32 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.768 HG22 HG11 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 45.33 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.11 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 63.53 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 61.25 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 53.32 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 71.43 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.561 HG22 HD13 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.628 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.13 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 52.42 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 71.3 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 65.23 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 73.14 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 64.32 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 64.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 74.31 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 71.43 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 54.22 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.704 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 73.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 71.21 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 61.21 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 72.34 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 62.41 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.543 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 45.43 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.702 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 74.25 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 72.14 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 54.23 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 70.14 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 129' ' ' LEU . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 64.12 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 54.32 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 73.32 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 1' ' ' MET . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 56.22 43.26 89.17 Favored Glycine 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 54.54 113.814 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.0 t -121.1 -65.12 1.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.066 0.395 . . . . 61.0 112.066 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 16.0 tp 68.74 165.66 0.25 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 125.058 1.343 . . . . 73.5 110.707 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.05 169.83 14.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.105 0.562 . . . . 63.14 110.763 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -85.65 11.18 11.38 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.921 0.888 . . . . 74.24 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -67.95 111.07 4.17 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.599 0.76 . . . . 75.12 111.347 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -172.38 -30.65 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.626 1.57 . . . . 72.24 109.271 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.5 m80 72.33 -168.59 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.354 1.462 . . . . 73.23 108.897 -161.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -95.2 -81.22 0.4 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.972 -1.122 . . . . 74.33 107.972 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.305 1.442 . . . . 72.14 107.541 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.485 -0.561 . . . . 72.35 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.9 158.7 9.46 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 71.35 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 61.43 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 51.54 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 55.13 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 73.5 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 54.35 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 53.43 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 63.42 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 61.42 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG21 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.24 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 65.23 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.34 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.42 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 62.05 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 64.33 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 72.42 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.434 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 64.42 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 71.34 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.2 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 61.03 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 54.23 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 62.03 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 61.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 51.31 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 61.53 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.756 ' HG2' HG22 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 70.51 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 43' ' ' GLU . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 73.12 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 72.1 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 72.53 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 53.43 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.24 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 70.43 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 64.4 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 61.51 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 45.12 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 73.31 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 63.22 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 64.22 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 70.02 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 25.24 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 71.44 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 64.43 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 72.43 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 109' ' ' THR . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.33 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.24 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 72.32 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.03 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 70.32 111.749 -175.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.42 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 72.12 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 72.31 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 62.22 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.15 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 71.41 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' A' ' 100' ' ' LYS . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.68 ' HG2' HD11 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 65.14 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 72.44 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HG3' HG21 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 72.13 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 72.4 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 61.53 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 52.34 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 73.01 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 63.21 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 54.54 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.22 -160.11 27.54 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 31.41 110.146 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.7 p -94.89 66.84 3.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.465 0.706 . . . . 34.41 109.914 173.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.74 164.28 17.71 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.442 -0.799 . . . . 74.32 110.162 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 56.83 41.84 27.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.641 1.176 . . . . 63.25 112.058 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -63.76 92.83 0.07 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-O 121.674 0.749 . . . . 74.24 109.639 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -131.59 141.8 49.75 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.922 1.289 . . . . 52.53 107.694 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.5 m80 61.76 -152.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.213 -1.032 . . . . 63.43 108.213 -170.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.3 m80 61.95 28.89 17.59 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.94 0.896 . . . . 73.54 111.566 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -76.03 80.41 2.88 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.389 -0.823 . . . . 64.41 108.959 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.318 1.447 . . . . 75.13 110.217 -175.339 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.124 -0.695 . . . . 73.1 109.124 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.28 48.68 3.96 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 123.075 0.369 . . . . 71.11 113.162 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 71.21 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 63.2 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 61.44 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 55.12 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 53.44 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 62.13 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 53.42 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 73.31 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 51.11 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 64.24 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 64.52 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 63.34 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 62.4 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 65.15 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 53.53 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 72.15 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 61.43 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 72.21 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 55.04 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG21 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 ' HB ' HD13 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 64.13 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.621 ' H ' HG23 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 63.54 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.692 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 72.01 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 54.44 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 52.53 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 63.32 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 71.11 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 72.53 110.969 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 61.13 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.23 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.14 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 53.42 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 44.43 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 71.3 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 64.15 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 74.1 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 62.33 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 64.2 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 74.3 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 65.52 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 54.34 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.679 HD11 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG11 HD13 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 71.12 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 71.22 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 63.23 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 45.55 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 55.24 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 91' ' ' LEU . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 73.15 109.777 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 73.1 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 73.03 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 72.2 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.11 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD13 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 73.41 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 74.23 109.899 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 53.41 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 62.44 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.679 ' HD2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 65.25 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 62.11 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 72.24 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 54.34 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 72.54 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 73.13 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 72.13 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.32 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.635 HD22 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 71.44 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 126' ' ' VAL . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 74.43 110.074 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.405 ' H ' ' HB2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.635 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . 141.94 44.39 0.06 OUTLIER Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 71.01 112.798 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 p -127.03 -70.53 0.71 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.31 0.644 . . . . 70.21 110.244 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.3 mp 71.67 126.77 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.763 1.625 . . . . 61.23 112.875 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -76.04 82.36 2.9 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.012 -0.995 . . . . 63.45 110.266 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -174.7 -40.6 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.491 1.516 . . . . 72.54 107.568 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.82 125.13 25.83 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.611 -1.177 . . . . 73.22 108.627 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 67.48 90.15 0.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.679 1.237 . . . . 64.44 110.257 -173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -97.11 -48.36 5.41 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.498 -0.774 . . . . 52.5 109.488 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 64.75 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.152 1.381 . . . . 74.45 112.609 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.432 0.693 . . . . 52.14 109.356 -177.096 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HB2' HG12 ' A' ' 126' ' ' VAL . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.885 -0.413 . . . . 72.24 109.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.27 61.73 4.59 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 111.306 -0.718 . . . . 71.42 111.306 176.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 62.33 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG11 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 41.44 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 64.21 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 72.51 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 44.1 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 65.42 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 72.45 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 64.34 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 65.32 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 50.33 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 71.43 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 53.53 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.04 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 71.31 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 HH21 HD22 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 63.03 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 43.41 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 72.11 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 72.13 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 62.32 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 61.34 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 64.04 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 51.13 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 63.03 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 64.55 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.634 ' HB ' HG22 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 65.32 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 73.05 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.33 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 71.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 71.24 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 71.31 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 44.43 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.12 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 62.44 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 53.55 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 64.44 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 74.11 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 55.35 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.57 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.04 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' HG13 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 64.2 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 60.13 110.91 -169.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 43.15 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 60.42 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 70.43 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 65.02 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 65.04 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 63.13 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 72.42 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 74.12 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 54.53 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 71.24 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 62.3 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 65.45 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 61.15 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 62.53 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.01 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 72.14 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.662 HD13 HG11 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 73.54 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.681 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 53.42 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 54.52 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 64.42 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 1' ' ' MET . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 61.44 111.859 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.52 142.64 3.44 Favored Glycine 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 50.52 110.948 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.542 ' HB2' HD23 ' A' ' 122' ' ' LEU . 44.4 m -152.11 170.95 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.721 0.761 . . . . 70.43 111.504 -177.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.402 ' HB3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 pt? -159.27 158.45 32.53 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.103 0.961 . . . . 74.42 110.917 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -137.66 154.46 49.7 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.524 1.13 . . . . 65.35 109.701 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -133.45 84.83 2.16 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.626 -0.879 . . . . 64.44 108.626 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -96.56 156.52 16.31 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.465 0.706 . . . . 75.05 110.641 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -124.47 150.8 45.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.95 0.9 . . . . 71.43 110.157 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -141.0 150.29 42.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.819 0.848 . . . . 62.15 109.855 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -110.44 97.16 6.68 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.212 -1.033 . . . . 72.01 108.212 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 123.289 0.636 . . . . 65.22 109.8 -174.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 108.719 -0.845 . . . . 72.43 108.719 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.02 61.39 0.35 Allowed Glycine 0 C--N 1.347 1.162 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 65.35 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.02 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.74 HG22 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 73.32 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 63.34 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 70.51 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.03 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 71.01 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 61.14 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.23 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 70.43 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 70.11 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 55.22 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.1 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 63.33 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.13 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 64.01 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 50.41 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 70.0 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 72.33 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 71.13 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 71.24 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 71.52 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 64.01 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 72.04 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 70.1 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 52.55 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 43.13 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 61.12 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 55.15 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 61.32 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 52.01 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.1 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 71.41 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 63.23 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.24 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.692 HG21 HD13 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 71.33 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 72.52 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 71.23 109.973 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.551 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 62.41 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 63.25 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 41.42 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 64.23 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HD3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.25 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 71.45 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 110' ' ' ASP . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 45.25 110.085 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 71.05 109.219 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' NZ ' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 71.41 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 63.42 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 73.21 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 63.12 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG11 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.523 HH21 ' HA ' ' A' ' 130' ' ' GLU . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 61.12 108.41 165.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 64.2 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 65.22 110.764 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 73.03 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 61.33 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.11 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HB2' HG21 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 64.42 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 74.24 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 73.12 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 63.31 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.525 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 61.43 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.56 ' HG3' HD11 ' A' ' 129' ' ' LEU . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 103.21 -4.45 48.42 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 42.53 114.36 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -89.34 66.2 7.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.202 0.601 . . . . 64.21 109.569 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.56 HD11 ' HG3' ' A' ' 125' ' ' LYS . 11.1 mp -93.25 136.77 33.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.059 0.543 . . . . 74.23 110.685 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.523 ' HA ' HH21 ' A' ' 107' ' ' ARG . 10.0 pt-20 -152.17 -161.55 1.33 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.702 1.201 . . . . 75.05 109.401 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.4 t60 61.48 79.27 0.26 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.19 0.996 . . . . 61.14 111.07 170.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -98.28 153.54 18.44 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.965 0.906 . . . . 73.52 109.916 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -82.08 1.43 35.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.784 0.834 . . . . 73.4 110.997 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -125.69 103.78 8.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.293 1.037 . . . . 75.23 108.441 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -95.23 124.85 39.49 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.486 -0.931 . . . . 75.32 108.486 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.534 -0.746 . . . . 75.13 110.095 -172.822 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.969 -0.382 . . . . 72.25 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.07 16.0 65.93 Favored Glycine 0 C--N 1.358 1.769 0 N-CA-C 113.749 0.259 . . . . 44.33 113.749 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 65.55 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HG23 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 71.24 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.1 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 43.33 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 63.21 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 55.4 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 70.34 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG13 HD21 ' A' ' 123' ' ' LEU . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 52.4 109.892 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.11 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 72.14 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB3' HD23 ' A' ' 123' ' ' LEU . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 61.42 109.242 -174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 55.43 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 45.03 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 62.42 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 55.31 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 54.3 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 70.13 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 65.44 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 73.01 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HG2' HG11 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 73.5 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 63.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 64.52 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 62.55 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 62.12 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 50.55 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 54.03 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 71.41 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 73.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 71.31 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 62.12 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 62.01 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.03 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 35.32 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 73.33 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 72.42 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 54.13 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 64.03 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' HG21 ' A' ' 8' ' ' VAL . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.11 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 62.21 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 65.42 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 62.43 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 53.0 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.737 HG11 HG22 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.25 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD11 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 72.42 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.506 HG12 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 70.45 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HB2' HG12 ' A' ' 108' ' ' VAL . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.04 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.13 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 71.31 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 71.42 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 55.51 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 64.33 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 61.34 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' O ' HD13 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.24 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.607 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 61.22 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.433 ' HE3' HG23 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 54.01 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 54.2 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.607 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 54.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 61.14 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.504 HG13 HG23 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.757 ' HG2' HD11 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 51.42 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.484 HG21 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 62.45 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 62.41 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HG3' HD12 ' A' ' 14' ' ' ILE . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 62.43 112.56 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 53.3 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 73.33 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 50.42 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 73.22 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 71.24 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 72.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 22' ' ' VAL . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 63.35 110.767 174.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.66 53.97 0.58 Allowed Glycine 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.8 t -150.76 138.69 19.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.796 0.438 . . . . 55.51 110.983 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 40.0 tp -158.8 159.04 34.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.502 1.121 . . . . 75.11 109.237 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.75 151.77 44.5 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.507 0.723 . . . . 62.34 111.037 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -90.02 79.66 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.694 -0.854 . . . . 74.45 108.694 170.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -97.02 95.24 7.66 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.113 -0.699 . . . . 73.54 109.113 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -127.01 -16.96 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.303 0.641 . . . . 74.02 110.967 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.11 90.43 0.33 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.628 -0.879 . . . . 74.31 108.628 172.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -123.44 119.63 30.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.209 1.003 . . . . 73.3 109.384 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.873 -0.788 . . . . 73.12 108.873 174.87 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HB3' ' O ' ' A' ' 51' ' ' GLY . 67.1 mtt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.182 -0.303 . . . . 73.22 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.57 33.23 76.09 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 -171.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 62.12 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 6' ' ' ILE . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.746 HD13 HG22 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 50.32 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 62.3 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 55.04 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HD13 ' A' ' 18' ' ' LEU . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.14 109.149 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 61.44 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 62.53 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 14' ' ' ILE . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 62.31 111.28 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 73.55 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 44.43 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 55.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.606 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 52.45 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 72.12 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 61.32 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 62.43 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 72.1 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 72.23 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 55.33 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 61.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 74.22 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 63.02 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.34 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 73.23 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 64.01 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 65.05 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.13 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 71.43 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 63.33 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 63.24 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 74.52 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 71.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 61.45 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 71.14 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 71.34 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 64.42 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 128' ' ' SER . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 62.02 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.471 ' HD3' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 71.24 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 61.42 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 70.3 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 64.1 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 65.21 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.471 HG21 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 62.53 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 70.42 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 65.31 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.625 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 71.23 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 61.41 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 63.23 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 71.3 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' HG11 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 72.11 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 55.31 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 62.12 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 72.12 109.997 169.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 55.33 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 179.64 -37.95 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 74.32 110.867 -175.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.673 ' HA ' HD22 ' A' ' 81' ' ' LEU . 35.2 m -77.71 98.68 5.57 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.682 0.793 . . . . 62.42 110.6 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.12 92.71 6.31 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.186 -0.672 . . . . 64.13 109.186 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 59.77 -168.87 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.151 0.98 . . . . 74.15 112.091 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -174.31 -28.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.721 1.208 . . . . 74.32 109.086 168.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.05 89.33 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.566 0.746 . . . . 75.31 109.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -106.33 127.33 53.18 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.329 -1.36 . . . . 74.23 107.329 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -72.47 -88.79 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 119.01 -0.519 . . . . 74.34 109.944 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 p80 169.12 -171.07 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.403 1.481 . . . . 72.45 108.814 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.137 0 N-CA-C 108.763 -0.829 . . . . 74.51 108.763 171.682 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 110.361 -0.237 . . . . 73.31 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.51 33.28 39.31 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 123.501 0.5 . . . . 14.12 112.387 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.429 HG21 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 53.5 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.44 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 60.53 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 74.01 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 55.35 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 72.52 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 51.23 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 70.51 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 72.14 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.623 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG13 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 64.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 62.42 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.21 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 63.13 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 71.14 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 54.44 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 62.1 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 50.11 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 70.42 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 53.33 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 73.31 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.645 HG23 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 62.42 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.04 112.895 -172.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HB3' HD11 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.443 ' NE2' ' HD2' ' A' ' 52' ' ' ARG . 4.8 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 34.31 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 ' HD2' ' NE2' ' A' ' 50' ' ' GLN . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 71.24 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 63.45 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 64.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 71.41 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 74.44 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 65.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.654 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 71.31 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 74.01 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.03 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 71.14 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 65.02 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 63.52 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 52.42 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.58 HG11 HG22 ' A' ' 104' ' ' VAL . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 71.11 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.0 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 44.32 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 73.33 110.755 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.33 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG23 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 61.31 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 HG13 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.35 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 72.34 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 71.4 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 92' ' ' LEU . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.11 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 64.24 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 63.32 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 55.44 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 65.1 112.727 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.541 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.532 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 63.43 111.225 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 64.51 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 63.4 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 65.21 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 64.11 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 64.04 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.12 109.602 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 64.51 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' HG3' HG21 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.13 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 45.45 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 HG13 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 53.5 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' HG2' ' HB2' ' A' ' 129' ' ' LEU . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 64.12 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 3' ' ' THR . . . 74.86 -74.97 1.31 Allowed Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.1 t -173.93 114.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 107.765 -1.198 . . . . 63.31 107.765 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.417 ' HB2' ' HG2' ' A' ' 125' ' ' LYS . 40.6 tp -70.76 -73.95 0.16 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.536 -0.542 . . . . 72.4 109.536 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -170.05 -168.49 0.75 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.651 0.78 . . . . 61.41 110.185 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 56.57 84.51 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.253 1.021 . . . . 74.03 111.573 168.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -59.44 122.06 13.04 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.293 -0.867 . . . . 74.42 110.642 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -79.8 -76.03 0.23 Allowed 'General case' 0 C--O 1.243 0.736 0 N-CA-C 108.621 -0.881 . . . . 72.0 108.621 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.65 54.12 11.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.2 1.0 . . . . 72.52 110.175 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -74.02 88.84 1.9 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.279 -0.873 . . . . 71.51 109.165 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.176 0.991 . . . . 61.31 108.585 -177.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.14 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 61.25 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 55.14 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 50.32 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.12 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.53 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.25 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' HD13 ' A' ' 18' ' ' LEU . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 72.13 109.366 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 61.43 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 14' ' ' ILE . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 64.4 111.234 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 72.53 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 63.52 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 63.02 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 71.21 111.071 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 73.44 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 54.45 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 60.41 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 65.42 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 74.53 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.473 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 64.32 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 71.41 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 71.43 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 64.41 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 31.51 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.41 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 64.44 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 63.34 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 71.33 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.04 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 42.12 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 70.02 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 72.35 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 HE21 ' NH1' ' A' ' 52' ' ' ARG . 15.4 mm100 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 54.5 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 71.41 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 54.31 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 63.44 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.71 HG21 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 53.01 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 41.11 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 52.55 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 71.35 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 65.2 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 63.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 61.03 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 71.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 64.44 111.063 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 52.11 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 61.32 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 64.02 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 62.45 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 70.53 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 42.55 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.558 ' HG3' HE21 ' A' ' 89' ' ' GLN . 2.7 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 73.2 110.89 -176.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.558 HE21 ' HG3' ' A' ' 87' ' ' GLN . 49.3 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 64.42 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 89' ' ' GLN . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 62.45 110.707 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 73.5 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.821 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.12 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 53.53 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 43.43 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 45.13 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.412 ' HB2' HH12 ' A' ' 79' ' ' ARG . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 73.31 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.23 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 74.11 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 71.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 34.51 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 52.52 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HB2' HG21 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 73.53 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 62.23 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 72.54 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.406 ' HG2' HG12 ' A' ' 126' ' ' VAL . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 54.31 110.353 -175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.406 HG12 ' HG2' ' A' ' 125' ' ' LYS . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.296 0 CA-C-O 120.688 0.049 . . . . 53.23 113.166 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 70.01 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 72.41 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 63.03 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 71.3 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 71.2 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 72.52 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 72.53 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.1 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 71.01 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.15 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 62.23 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HG23 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 33.52 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 71.42 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 61.1 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 HG22 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 54.32 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 61.43 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 71.41 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 60.0 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 53.03 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 64.12 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.33 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 73.43 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 55.41 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 73.14 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 64.13 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 63.12 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 64.42 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 63.41 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.668 HG23 HG11 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 43.23 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 72.12 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 63.32 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 50.54 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 73.33 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 73.51 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.34 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 71.02 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.521 HG23 HG21 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 44.52 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 70.11 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 74.53 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH2' HD22 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 72.34 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 52.55 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 71.35 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 64.13 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 51.32 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.559 HD21 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 54.15 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 53.13 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.699 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 73.45 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 62.34 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.15 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 61.42 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 61.34 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HG21 ' A' ' 70' ' ' VAL . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.489 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 72.43 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 33.11 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 64.43 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 71.14 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.14 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 71.42 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 55.35 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 55.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 71.5 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 73.03 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 61.12 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.14 110.08 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 112.005 -0.438 . . . . 61.0 112.005 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 64.41 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 61.43 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 60.24 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 63.1 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 73.55 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 71.42 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 65.55 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.11 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 71.33 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 73.55 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.609 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.33 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 71.1 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 72.11 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 62.33 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 54.34 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.635 HG21 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.33 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 71.5 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.582 ' HE3' HG13 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 62.04 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 73.2 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 73.24 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.652 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 62.05 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 63.23 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 61.31 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 72.44 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.03 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 72.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 71.44 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.5 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 64.04 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 63.51 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 35.42 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 HG13 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 54.21 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 72.0 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 64.25 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.741 HG22 HG11 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 61.5 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 52.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 54.25 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.02 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 43.23 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 34.32 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.691 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.11 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 64.3 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.03 112.322 -167.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 64.24 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 52.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 65.02 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 63.01 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 72.0 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 86' ' ' ALA . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 74.4 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 53.04 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 65.22 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 61.24 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 60.54 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 61.31 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 63.11 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.408 ' HG2' HD11 ' A' ' 81' ' ' LEU . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 73.1 109.935 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 72.14 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.483 ' HG3' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 64.43 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 65.42 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 72.02 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 73.33 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 72.31 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.24 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 34.32 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.704 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 72.54 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 53.41 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.503 HG21 ' HG3' ' A' ' 63' ' ' GLU . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 65.43 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 72.3 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 71.21 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 50.11 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 53.11 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 53.35 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 73.55 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 65.11 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 116' ' ' LYS . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.594 HG13 HD21 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 71.31 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 64.3 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.1 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 61.32 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 61.21 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 72.53 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 51.31 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.689 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 65.43 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.467 HG21 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 71.13 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 72.33 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 71.25 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 53.03 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 53.21 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.588 ' HG3' HG21 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 64.45 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 53.22 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 25.23 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 64.14 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 51.4 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 54.25 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 55.01 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 73.13 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 50.34 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.689 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 64.33 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 55.02 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.41 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.503 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 70.33 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 69' ' ' ILE . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 63.22 112.297 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.32 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.598 HG22 HG11 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 62.44 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 60.42 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 72.5 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 52.31 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 70.33 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 65.1 107.267 173.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 HG22 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 55.41 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.798 HD11 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.744 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 72.53 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.749 ' HE3' HD11 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 41.43 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.33 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 73.32 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.04 110.456 -169.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 73.3 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.22 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.749 HD11 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 54.21 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 63.13 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 72.14 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.798 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 72.24 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 54.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 61.4 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 55.34 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.744 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 61.25 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 64.02 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.13 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.594 HD21 HG13 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 70.54 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 62.04 110.8 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 62.42 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 62.04 111.761 177.722 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.461 0.33 0 N-CA-C 111.567 -0.613 . . . . 64.43 111.567 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 52.42 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 65.32 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.445 HG22 HD21 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 35.13 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.473 ' ND2' HE22 ' A' ' 89' ' ' GLN . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 63.44 110.873 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.491 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 51.01 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 43.34 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 53.15 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 65.21 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 65.45 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 HD21 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 60.22 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 60.24 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 45.2 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 64.34 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 71.44 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 55.54 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.61 ' HE2' HG13 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 54.1 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 64.33 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' ASP . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 73.23 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 62.31 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 63.41 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 51.35 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 65.42 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 61.21 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 65.41 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 HG11 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 65.21 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 71.42 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 73.12 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 72.04 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 70.21 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 52.52 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 71.1 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 63.34 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 73.52 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 66' ' ' VAL . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 63.15 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 31.1 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 60.04 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 53.42 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 53.44 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 72.03 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.512 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.11 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 64.01 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' HE21 ' A' ' 89' ' ' GLN . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 55.31 109.974 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.2 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.511 HE21 ' HB2' ' A' ' 87' ' ' GLN . 43.0 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 73.13 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.512 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 65.43 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 72.14 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 64.32 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 62.01 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 72.11 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 71.4 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.445 HD21 HG22 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 65.23 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 63.12 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 73.11 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 73.21 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 53.2 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 71.54 109.591 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.513 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 N--CA 1.46 0.238 0 N-CA-C 111.838 -0.505 . . . . 63.01 111.838 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 52.31 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.422 HG13 HG23 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 61.01 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 HG22 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 54.11 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 53.43 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 61.21 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 72.42 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 72.4 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 71.45 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 70.11 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 112' ' ' GLU . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 52.3 109.984 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 51.4 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 71.11 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 62.13 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 64.44 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.53 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 61.42 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 64.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.33 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 62.42 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 52.4 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 74.3 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.31 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 63.11 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 53.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 53.15 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 52.41 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.473 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 71.25 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 64.41 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.526 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 71.55 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 62.44 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 55.23 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 53.11 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 72.51 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 72.22 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 62.03 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 71.1 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 69' ' ' ILE . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 60.12 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 63.21 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 64.31 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.819 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.21 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 71.5 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.51 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 61.21 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 54.23 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.479 HH12 HD13 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.13 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.819 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 64.25 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 45.13 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 73.4 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 72.44 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 65.31 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 62.12 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 72.11 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 62.24 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.527 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 74.31 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 62.02 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 62.3 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 51.41 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.11 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 54.31 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 63.53 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 73.02 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.599 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.31 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HB3' HD12 ' A' ' 14' ' ' ILE . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 63.01 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 62.12 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 70.24 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 64.43 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 61.33 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 HD21 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 52.33 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 61.2 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 64.31 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 41.1 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' HD13 ' A' ' 23' ' ' LEU . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.21 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.651 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 19' ' ' LEU . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.33 111.593 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 72.23 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 54.32 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' HD23 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 72.23 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 72.22 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.01 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 71.12 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 71.24 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG13 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 36' ' ' ASP . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 71.31 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 54.41 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 71.22 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 43.02 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' HD11 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 72.34 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 62.13 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 74.24 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 64.14 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.653 ' HB2' HG11 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.05 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 64.34 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 71.51 110.834 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 70.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 104' ' ' VAL . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 64.24 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 62.41 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 64.33 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 73.21 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 70.14 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 63.03 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 71.23 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 61.02 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 71.54 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 60.23 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 63.43 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 71.12 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 85' ' ' VAL . 1.5 m120 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 54.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 85' ' ' VAL . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.02 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 60.21 110.368 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 72.22 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 72.44 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 61.45 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 54.02 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 55.03 110.847 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 71.23 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.175 0 N-CA-C 111.002 -0.839 . . . . 71.23 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 54.41 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 72.35 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.11 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 65.43 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 65.24 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.404 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 63.32 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 61.01 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 61.13 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 42.31 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 70.11 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HG2' HE22 ' A' ' 50' ' ' GLN . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 70.11 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 72.02 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 40.2 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 54.1 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 70.54 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 35.02 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 70.53 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 73.53 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 63.3 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 18.2 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 70.2 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 32.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 72.14 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 63.21 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 44.14 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 53.4 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 73.1 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 74.13 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 61.32 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 72.42 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 72.34 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 71.11 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 74.41 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 40.42 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.538 ' HA ' HD22 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 61.14 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 70.13 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 60.14 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 74.23 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 74.53 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 71.41 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 54.31 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 72.12 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.66 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 62.24 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 51.44 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 73.53 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 73.12 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 62.02 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 64.2 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.404 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 71.42 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 54.43 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 71.12 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 65.12 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 55.23 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 CA-C-O 120.435 -0.092 . . . . 62.01 112.968 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 63.44 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 55.33 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 82' ' ' VAL . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 72.1 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 44.25 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 74.45 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.701 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 65.25 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.701 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.12 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 72.54 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 44.45 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' HD23 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 41.14 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 71.23 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 65.42 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 63.43 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 63.3 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.01 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG3' HG11 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 73.01 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 64.14 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 70.4 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.13 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 44.04 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 54.5 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 71.43 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.01 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 64.22 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 51.2 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.41 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 63.35 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 64.12 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 61.24 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 74.01 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 64.43 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 41.13 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.55 HE21 HG12 ' A' ' 70' ' ' VAL . 79.9 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 62.34 110.515 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 64.44 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 60.03 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 60.4 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 6' ' ' ILE . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 71.32 109.192 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 72.52 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 43.4 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 64.15 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 42.22 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 61.23 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 70.51 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 71.22 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 71.43 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 65.1 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 62.44 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 72.3 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 61.23 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 62.54 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.02 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 54.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 53.03 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.13 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 72.43 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 73.02 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.758 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 73.13 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.01 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 72.35 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 72.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 65.31 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 50.14 111.139 -174.447 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.559 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.591 HD13 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 72.53 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 62.23 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.44 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 62.35 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 64.24 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 74.53 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 63.05 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 64.14 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 63.33 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 63.32 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 71.33 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 71.45 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 73.13 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 73.03 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 71.21 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 71.14 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 54.45 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 HG23 ' A' ' 31' ' ' THR . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 71.14 110.733 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.02 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.405 HG23 HG23 ' A' ' 29' ' ' VAL . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 60.11 109.614 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 71.1 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 62.25 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 54.52 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 71.52 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 63.34 111.621 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 73.31 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 74.1 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 64.41 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 73.43 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 64.42 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 64.42 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 72.24 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 52.55 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 71.12 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 31.05 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 73.24 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 71.51 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.605 HD13 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 53.34 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 64.43 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.33 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 61.2 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 61.02 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 60.45 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 62.31 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 54.33 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 54.44 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 74.41 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 54.21 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 71.3 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 110' ' ' ASP . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 50.5 108.745 171.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 62.34 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 73.35 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 64.23 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 63.33 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 53.31 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 53.44 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 64.52 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 73.05 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 65.25 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.597 HG22 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 61.03 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' H ' ' HA ' ' A' ' 85' ' ' VAL . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 61.34 113.016 169.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 42.14 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 114' ' ' GLU . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 62.31 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.34 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 71.2 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 42.25 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.48 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 112.444 -0.262 . . . . 64.53 112.444 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 73.31 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 73.15 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.14 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 71.1 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 63.41 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 52.31 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 64.04 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 72.52 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 73.23 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.3 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 70.33 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 53.23 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 74.01 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 62.34 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 116' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 54.1 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 70.34 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 74.31 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 64.22 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 62.41 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 72.44 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 44.12 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 72.24 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 73.44 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE2' HG13 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 73.45 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 71.24 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 55.12 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 71.3 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 54.24 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 62.04 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 64.25 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 71.41 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 72.32 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 59' ' ' ARG . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG3' HG21 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 72.14 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 64.45 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 52.43 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 60.11 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.639 HG11 HG21 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 64.43 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 73.03 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.48 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.607 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 71.15 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 HG22 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 73.1 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 53.12 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 32.31 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 62.42 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 70.51 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 74.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 65.42 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 64.21 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 71.44 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.34 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 62.23 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.03 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 42.31 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HG11 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 53.35 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 62.02 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 63.03 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 71.22 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 72.32 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.34 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 53.32 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 55.23 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 65.44 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 73.14 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 71.43 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.677 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 52.5 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 61.32 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 72.31 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 72.01 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 112.429 -0.268 . . . . 74.11 112.429 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 79' ' ' ARG . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 54.51 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.447 HG13 HG23 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 63.35 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 119' ' ' LEU . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 63' ' ' GLU . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 62.23 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.11 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 54.13 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 71.3 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 44.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 62.11 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 64.22 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.24 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.01 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 42.34 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 54.23 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 52.14 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 73.34 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 63.32 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 73.12 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 64.23 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 72.54 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 73.32 111.444 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 61.43 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 61.34 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 62.1 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 74.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG2' HG13 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 71.01 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 73.51 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 64.31 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 72.13 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 60.12 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 64.25 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HB2' HG11 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 65.32 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 52.53 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 64.45 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.7 HG22 HG11 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 63.23 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 54.41 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 53.35 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 73.54 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 74.24 107.246 171.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 71.42 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 70.33 111.448 -163.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.641 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.04 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.641 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 61.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG2' ' HB1' ' A' ' 86' ' ' ALA . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 54.12 112.78 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.15 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 63.13 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.465 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 73.0 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 64.24 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 61.35 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 40.22 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.494 HG21 HG11 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 53.33 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.572 HG22 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 70.03 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.02 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 61.31 110.05 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 60.31 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.475 HD22 ' HG2' ' A' ' 114' ' ' GLU . 31.4 t30 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB3' HD21 ' A' ' 111' ' ' ASN . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.12 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 65.35 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 54.45 111.242 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 61.51 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 73.43 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD12 HD11 ' A' ' 83' ' ' ILE . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.22 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.685 HD21 HG13 ' A' ' 22' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 62.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 125' ' ' LYS . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 124' ' ' GLU . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 71.34 111.318 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 64.45 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.939 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.15 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.625 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.561 HD13 HG22 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 64.11 109.336 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.573 HG21 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 74.53 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 60.14 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 70.1 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 60.03 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 43.04 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 72.21 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.702 HG21 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 64.0 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 74.44 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 60.32 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 123' ' ' LEU . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 54.1 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 72.44 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.605 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 74.43 111.71 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 60.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 62.13 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 64.31 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 70.15 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 70.43 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.11 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 42.33 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' HB ' HG23 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 61.12 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 61.21 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 70.3 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.502 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG3' HG21 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 71.52 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 70.12 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.15 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 71.33 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 73.31 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 71.32 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.768 HG22 HG11 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 45.33 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.11 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.538 HE21 HG12 ' A' ' 70' ' ' VAL . 76.8 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 63.53 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 61.25 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 53.32 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 71.43 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.561 HG22 HD13 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.628 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.13 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 52.42 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 71.3 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 65.23 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 73.14 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 64.32 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 64.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 74.31 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 71.43 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 54.22 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.704 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 73.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 71.21 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 61.21 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 72.34 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 62.41 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.543 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 45.43 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.702 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 74.25 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 72.14 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 54.23 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 70.14 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.54 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 64.12 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 54.32 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 73.32 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 54.54 113.814 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.938 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 71.35 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 61.43 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 51.54 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 55.13 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 73.5 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 54.35 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 53.43 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 63.42 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 61.42 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.67 HG21 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.24 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 65.23 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.34 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.42 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 62.05 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 64.33 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 72.42 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.434 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 64.42 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 71.34 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.2 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 61.03 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 54.23 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 62.03 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 61.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 51.31 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 61.53 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.756 ' HG2' HG22 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 70.51 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 43' ' ' GLU . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 73.12 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 72.1 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 72.53 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 53.43 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.24 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 70.43 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 64.4 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 61.51 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 45.12 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 73.31 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 63.22 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 64.22 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 70.02 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 25.24 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 71.44 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 64.43 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 72.43 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 109' ' ' THR . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.33 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.24 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 72.32 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.03 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 70.32 111.749 -175.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.42 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 72.12 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 72.31 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 62.22 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.15 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 71.41 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' A' ' 100' ' ' LYS . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.68 ' HG2' HD11 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 65.14 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 72.44 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HG3' HG21 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 72.13 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 72.4 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 61.53 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 52.34 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 73.01 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 63.21 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 54.54 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 31.41 110.146 178.446 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.77 0 N-CA-C 113.162 0.025 . . . . 71.11 113.162 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 71.21 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 63.2 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 61.44 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 55.12 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 53.44 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 62.13 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 53.42 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 73.31 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 51.11 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 64.24 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 64.52 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 63.34 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 62.4 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 65.15 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 53.53 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 72.15 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 61.43 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 72.21 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 55.04 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG21 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 ' HB ' HD13 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 64.13 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.621 ' H ' HG23 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 63.54 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.692 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 72.01 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 54.44 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 52.53 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 63.32 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 71.11 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 72.53 110.969 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 61.13 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.23 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.14 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 53.42 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 44.43 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 71.3 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 64.15 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 74.1 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 62.33 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 64.2 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 74.3 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 65.52 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 54.34 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.679 HD11 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.828 HG11 HD13 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 71.12 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 71.22 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 63.23 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 45.55 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 55.24 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 91' ' ' LEU . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 73.15 109.777 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 73.1 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 73.03 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 72.2 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.11 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.828 HD13 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 73.41 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 74.23 109.899 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 53.41 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 62.44 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.679 ' HD2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 65.25 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 62.11 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 72.24 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 54.34 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 72.54 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 73.13 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 72.13 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.32 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.635 HD22 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 71.44 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 126' ' ' VAL . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 74.43 110.074 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.405 ' H ' ' HB2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.635 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 71.01 112.798 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.767 0 N-CA-C 111.306 -0.718 . . . . 71.42 111.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 62.33 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG11 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 41.44 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 64.21 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 72.51 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 44.1 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 65.42 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 72.45 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 64.34 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 65.32 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 50.33 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 71.43 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 53.53 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.04 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 71.31 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.572 HH21 HD22 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 63.03 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 43.41 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 72.11 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 72.13 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 62.32 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 61.34 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 64.04 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 51.13 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 63.03 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 64.55 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.634 ' HB ' HG22 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 65.32 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 73.05 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.33 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 71.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 71.24 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 71.31 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 44.43 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.12 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 62.44 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 53.55 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 64.44 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 74.11 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 55.35 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.57 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.04 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' HG13 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 64.2 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 60.13 110.91 -169.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 43.15 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 60.42 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 70.43 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 65.02 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 65.04 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 63.13 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 72.42 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 74.12 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 54.53 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 71.24 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 62.3 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 65.45 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 61.15 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 62.53 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.01 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 72.14 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.662 HD13 HG11 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 73.54 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.681 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 53.42 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 54.52 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 64.42 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 61.44 111.859 -175.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 50.52 110.948 178.067 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.504 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 65.35 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.02 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.74 HG22 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 73.32 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 63.34 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 70.51 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.03 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 71.01 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 61.14 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.23 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 70.43 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 70.11 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 55.22 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.1 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 63.33 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.13 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 64.01 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 50.41 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 70.0 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 72.33 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 71.13 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 71.24 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 71.52 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 64.01 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 72.04 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 70.1 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 52.55 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 43.13 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 61.12 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 55.15 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 61.32 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 52.01 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.1 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 71.41 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 63.23 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.24 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.692 HG21 HD13 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 71.33 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 72.52 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 71.23 109.973 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.551 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 62.41 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 63.25 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 41.42 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 64.23 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HD3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.25 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 71.45 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 110' ' ' ASP . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 45.25 110.085 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.404 HE22 ' HB2' ' A' ' 10' ' ' ASN . 48.1 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 71.05 109.219 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' NZ ' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 71.41 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 63.42 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 73.21 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 63.12 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG11 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 61.12 108.41 165.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 64.2 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 65.22 110.764 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 73.03 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 61.33 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.11 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HB2' HG21 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 64.42 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 74.24 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 73.12 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 63.31 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.525 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 61.43 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 42.53 114.36 174.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.201 0 N-CA-C 113.749 0.259 . . . . 44.33 113.749 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 65.55 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HG23 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 71.24 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.1 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 43.33 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 63.21 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 55.4 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 70.34 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG13 HD21 ' A' ' 123' ' ' LEU . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 52.4 109.892 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.11 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 72.14 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB3' HD23 ' A' ' 123' ' ' LEU . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 61.42 109.242 -174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 55.43 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 45.03 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 62.42 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 55.31 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 54.3 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 70.13 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 65.44 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 73.01 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HG2' HG11 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 73.5 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 63.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 64.52 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 62.55 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 62.12 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 50.55 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 54.03 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 71.41 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 73.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 71.31 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 62.12 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 62.01 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.03 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 35.32 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 73.33 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 72.42 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 54.13 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 64.03 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' HG21 ' A' ' 8' ' ' VAL . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.11 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 62.21 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 65.42 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 62.43 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 53.0 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.737 HG11 HG22 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.25 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD11 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 72.42 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.506 HG12 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 70.45 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HB2' HG12 ' A' ' 108' ' ' VAL . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.04 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.13 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 71.31 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 71.42 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 55.51 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 64.33 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 61.34 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' O ' HD13 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.24 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.607 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 61.22 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.433 ' HE3' HG23 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 54.01 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 54.2 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.607 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 54.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 61.14 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.504 HG13 HG23 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.757 ' HG2' HD11 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 51.42 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.484 HG21 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 62.45 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 62.41 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HG3' HD12 ' A' ' 14' ' ' ILE . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 62.43 112.56 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 53.3 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 73.33 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 50.42 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 73.22 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 71.24 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 72.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 22' ' ' VAL . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 63.35 110.767 174.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.845 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 62.12 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 6' ' ' ILE . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.746 HD13 HG22 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 50.32 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 62.3 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 55.04 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HD13 ' A' ' 18' ' ' LEU . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.14 109.149 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 61.44 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 62.53 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 14' ' ' ILE . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 62.31 111.28 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 73.55 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 44.43 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 55.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.606 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 52.45 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 72.12 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 61.32 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 62.43 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 72.1 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 72.23 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 55.33 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 61.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 74.22 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 63.02 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.34 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 73.23 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 64.01 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 65.05 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.13 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 71.43 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 63.33 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 63.24 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 74.52 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 71.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 61.45 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 71.14 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 71.34 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 64.42 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.505 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 62.02 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.471 ' HD3' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 71.24 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 61.42 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 70.3 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 64.1 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 65.21 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.471 HG21 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 62.53 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 70.42 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 65.31 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.625 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 71.23 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 61.41 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 63.23 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 71.3 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' HG11 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 72.11 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 55.31 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 62.12 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 72.12 109.997 169.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 55.33 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . . . . . . 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 74.32 110.867 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 112.387 -0.285 . . . . 14.12 112.387 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.429 HG21 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 53.5 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.44 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 60.53 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 74.01 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 55.35 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 72.52 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 51.23 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 70.51 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 72.14 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.623 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.7 HG13 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 64.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 62.42 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.21 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 63.13 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 71.14 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 54.44 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 62.1 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 50.11 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 70.42 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 53.33 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 73.31 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.645 HG23 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 62.42 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.667 ' HA ' HE21 ' A' ' 50' ' ' GLN . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.04 112.895 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HB3' HD11 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.667 HE21 ' HA ' ' A' ' 47' ' ' ALA . 29.9 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 34.31 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 71.24 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 63.45 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 64.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 71.41 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 74.44 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 65.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.654 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 71.31 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 74.01 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.03 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 71.14 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 65.02 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 63.52 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 52.42 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.612 HG12 HE21 ' A' ' 74' ' ' GLN . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 71.11 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.0 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 44.32 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.612 HE21 HG12 ' A' ' 70' ' ' VAL . 76.3 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 73.33 110.755 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.33 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG23 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 61.31 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 HG13 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.35 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 72.34 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 71.4 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 92' ' ' LEU . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.11 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 64.24 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 63.32 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 55.44 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 65.1 112.727 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.541 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.532 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 63.43 111.225 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 64.51 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 63.4 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 65.21 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 64.11 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 64.04 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.414 HD22 ' HB2' ' A' ' 114' ' ' GLU . 37.3 t30 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.12 109.602 -176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 64.51 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.414 ' HB2' HD22 ' A' ' 111' ' ' ASN . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.443 ' HG3' HG21 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.13 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 45.45 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 HG13 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 53.5 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 64.12 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.4 mtm . . . . . 0 N--CA 1.474 0.729 0 N-CA-C 110.12 -0.326 . . . . 72.42 110.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.26 41.2 26.85 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 114.242 0.457 . . . . 73.24 114.242 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.518 HG22 ' HB3' ' A' ' 79' ' ' ARG . 18.7 p -76.33 142.04 41.38 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 109.093 -0.706 . . . . 75.31 109.093 172.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -113.86 114.13 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 N-CA-C 107.442 -1.318 . . . . 71.14 107.442 -172.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.7 m -118.8 113.11 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 CA-C-O 121.611 0.72 . . . . 61.25 109.165 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -102.31 107.63 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 N-CA-C 108.847 -0.798 . . . . 75.53 108.847 -171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 34.3 t -87.89 112.8 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 109.061 -0.718 . . . . 55.14 109.061 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 47.1 t -115.83 136.79 51.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 123.111 0.564 . . . . 50.32 110.552 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 88.3 p -158.89 149.61 19.96 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.955 0.902 . . . . 72.3 108.642 167.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -66.56 -40.76 89.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.324 0.65 . . . . 74.12 112.064 -175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -83.22 142.92 30.8 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.074 0.55 . . . . 71.53 110.0 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.91 -50.75 21.76 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.554 1.142 . . . . 74.32 111.273 -174.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -60.2 -26.19 66.18 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.118 0.967 . . . . 73.25 111.9 -173.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 ' O ' HD13 ' A' ' 18' ' ' LEU . 29.8 mm -65.18 -51.01 70.88 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.967 0 O-C-N 123.99 0.806 . . . . 72.13 109.366 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.93 -30.37 71.5 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.348 0.659 . . . . 71.04 111.818 176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -71.05 -47.98 55.37 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.187 0.595 . . . . 65.13 111.816 176.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.9 tt0 -63.98 -48.83 74.88 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 121.371 0.605 . . . . 61.43 110.063 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 14' ' ' ILE . 9.0 mp -63.28 -29.7 70.98 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 114.275 -1.33 . . . . 64.4 111.234 178.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 36.6 tp -60.58 -51.72 68.24 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 109.93 -0.396 . . . . 74.01 109.93 173.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.9 mt-10 -64.84 -31.1 72.17 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.44 1.087 . . . . 72.53 111.3 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HB2' ' A' ' 116' ' ' LYS . 54.2 t -60.62 -53.97 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.543 0.737 . . . . 72.11 111.17 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.71 HG11 HG21 ' A' ' 55' ' ' VAL . 16.3 t -74.46 -40.69 49.2 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 O-C-N 123.728 0.643 . . . . 63.52 111.193 -176.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HG ' ' OG1' ' A' ' 31' ' ' THR . 0.5 OUTLIER -60.63 -42.07 96.14 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.013 0.925 . . . . 63.02 110.983 -177.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -79.83 -25.86 40.67 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 116.305 -0.407 . . . . 71.21 111.071 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -34.98 77.5 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 123.375 0.67 . . . . 75.42 110.438 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -167.47 118.64 0.71 Allowed Pre-proline 0 CA--C 1.554 1.099 0 C-N-CA 123.556 0.742 . . . . 73.44 109.139 175.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_endo -81.39 -8.15 12.74 Favored 'Trans proline' 0 C--N 1.383 2.349 0 C-N-CA 122.973 2.449 . . . . 54.45 114.117 -177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 52' ' ' ARG . 30.7 m-80 -93.58 -23.15 18.41 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.139 0.575 . . . . 60.41 110.714 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 ' HG2' ' A' ' 53' ' ' PRO . 97.6 t -71.92 106.83 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 107.697 -1.223 . . . . 65.42 107.697 167.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -73.3 96.87 2.37 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 121.347 0.594 . . . . 74.53 112.558 -167.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.473 ' OG1' ' HG ' ' A' ' 23' ' ' LEU . 71.8 p -84.78 99.89 11.17 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 114.737 -1.12 . . . . 74.32 109.78 175.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.03 112.53 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 109.503 -0.554 . . . . 73.41 109.503 -172.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG2' ' HB2' ' A' ' 57' ' ' PHE . 2.6 mmp_? -87.49 115.88 25.22 Favored 'General case' 0 C--N 1.348 0.507 0 N-CA-C 107.052 -1.462 . . . . 72.34 107.052 166.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 t -149.97 -41.74 0.13 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.127 0.571 . . . . 64.32 110.107 -172.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 58.74 21.93 9.47 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.365 1.066 . . . . 71.41 111.582 176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -100.96 -179.43 4.05 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.852 -1.067 . . . . 63.34 109.661 -171.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.626 ' HD2' ' H ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.75 -57.89 2.04 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.465 1.106 . . . . 71.43 110.264 -178.11 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 10.3 pt-20 -75.63 -39.13 58.26 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.45 0.3 . . . . 64.41 111.229 -176.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -62.63 -44.62 95.83 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.528 0.518 . . . . 71.42 111.244 -174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' O ' HG13 ' A' ' 44' ' ' ILE . 98.7 t -54.33 -43.22 61.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 123.6 0.563 . . . . 31.51 110.366 178.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -61.97 -40.26 94.98 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.133 0.973 . . . . 73.41 111.287 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 53.9 mm-40 -67.08 -37.72 84.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.45 0.7 . . . . 64.44 110.714 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 11.4 mm-40 -72.64 -31.37 65.06 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.925 -0.58 . . . . 63.34 110.495 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 40' ' ' VAL . 67.2 mt -64.38 -38.08 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 123.801 0.84 . . . . 71.33 110.533 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 49' ' ' LYS . 0.8 OUTLIER -61.47 -42.86 99.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 109.279 -0.637 . . . . 75.41 109.279 174.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -64.5 -37.17 86.59 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.588 0.755 . . . . 72.04 111.587 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.44 -47.58 66.82 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.006 0.922 . . . . 42.12 111.745 -175.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -68.43 -28.65 67.25 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 115.16 -0.927 . . . . 70.02 110.075 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 45.5 tttt -69.82 -48.99 56.94 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 124.964 1.306 . . . . 72.35 109.775 -175.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 HE21 ' NH1' ' A' ' 52' ' ' ARG . 15.4 mm100 -70.51 -31.22 68.23 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 114.704 -1.134 . . . . 74.2 110.505 174.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.05 30.45 38.13 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 115.561 -0.745 . . . . 54.5 112.205 -175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.5 ' HD3' ' HB3' ' A' ' 28' ' ' ASN . 94.9 mtt180 -115.15 149.23 42.29 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.13 0.972 . . . . 71.41 109.478 -176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' HG2' HG22 ' A' ' 29' ' ' VAL . 34.7 Cg_endo -65.7 150.11 86.53 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 121.915 1.743 . . . . 54.31 111.331 172.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.1 tt -127.29 133.88 67.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 123.519 0.728 . . . . 63.44 109.075 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.71 HG21 HG11 ' A' ' 22' ' ' VAL . 9.7 t -116.42 108.03 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 108.98 -0.748 . . . . 53.01 108.98 -175.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 34.8 mm -101.59 115.64 43.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 123.059 0.544 . . . . 41.11 109.579 -175.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 53.7 m-85 -93.96 106.81 18.77 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.026 0.531 . . . . 75.51 109.9 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.473 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 13.6 mm -112.17 147.18 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 124.752 1.221 . . . . 52.55 108.823 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.422 ' HB3' ' HD2' ' A' ' 62' ' ' TYR . 63.5 ttt180 -88.0 164.22 15.9 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.331 0.652 . . . . 71.35 109.977 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.41 -41.63 95.33 Favored Glycine 0 N--CA 1.479 1.512 0 N-CA-C 114.408 0.523 . . . . 73.34 114.408 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.99 70.21 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 123.368 0.667 . . . . 64.21 111.135 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.422 ' HD2' ' HB3' ' A' ' 59' ' ' ARG . 55.8 m-85 -71.36 -24.06 62.02 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.68 -1.146 . . . . 65.2 112.151 177.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -52.62 -29.0 23.7 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.642 0.777 . . . . 63.2 112.217 -176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.57 -35.19 60.53 Favored 'General case' 0 CA--C 1.563 1.477 0 C-N-CA 123.968 0.907 . . . . 74.15 111.696 175.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 99.0 t -65.36 -32.92 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.538 0 C-N-CA 124.217 1.007 . . . . 75.34 112.315 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 76.4 t -54.99 -32.55 27.07 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 C-N-CA 123.927 0.891 . . . . 73.42 112.934 -172.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.2 ttp180 -64.12 -33.85 76.71 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 122.672 0.389 . . . . 75.5 111.856 -178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.24 -38.6 87.25 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.809 0.844 . . . . 71.12 110.355 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.581 HD12 ' HA ' ' A' ' 66' ' ' VAL . 22.0 mt -75.69 -34.47 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 C-N-CA 124.538 1.135 . . . . 73.55 111.452 -179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 35.0 t -52.76 -44.3 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 124.074 0.95 . . . . 61.03 111.441 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 30.7 tt0 -54.49 -50.14 68.49 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 124.061 0.85 . . . . 71.44 111.367 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.401 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 78.8 t80 -59.13 -49.88 76.16 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 124.087 0.867 . . . . 64.44 111.063 179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.74 -30.64 68.98 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.022 0.929 . . . . 75.11 112.453 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 96.0 mt-30 -71.59 -42.77 67.32 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 122.999 0.519 . . . . 74.44 110.516 173.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 32.0 mmmt -65.66 -26.78 67.95 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.859 0.864 . . . . 52.11 111.133 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB3' ' HG ' ' A' ' 78' ' ' LEU . 9.8 mm-40 -63.39 -46.67 85.38 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.769 0.828 . . . . 74.05 109.913 169.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.11 33.83 10.39 Favored Glycine 0 C--N 1.344 0.992 0 CA-C-N 114.742 -1.117 . . . . 61.32 111.506 -171.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.414 ' HG ' ' HB3' ' A' ' 76' ' ' GLU . 96.7 mt -96.35 161.36 13.96 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.478 0.711 . . . . 64.02 110.933 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 3' ' ' THR . 25.4 tpt180 -76.65 112.64 13.42 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.557 -0.905 . . . . 72.44 108.557 171.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.4 t -107.17 119.19 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 107.743 -1.206 . . . . 72.34 107.743 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 32.9 tp -135.98 109.36 7.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.87 -1.159 . . . . 62.45 107.87 -171.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.6 t -95.09 115.23 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 N-CA-C 108.843 -0.799 . . . . 73.42 108.843 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 61.3 mt -96.08 109.56 22.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 106.723 -1.584 . . . . 72.11 106.723 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.821 ' HE2' ' HB2' ' A' ' 96' ' ' TYR . 62.0 tttp -129.28 128.36 43.06 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 124.157 0.983 . . . . 74.34 109.28 -160.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.5 t -85.87 103.25 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 108.615 -0.883 . . . . 70.53 108.615 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -81.2 148.96 29.28 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 109.279 -0.638 . . . . 42.55 109.279 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.558 ' HG3' HE21 ' A' ' 89' ' ' GLN . 2.7 pt20 -164.24 40.59 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 122.851 0.46 . . . . 73.2 110.89 -176.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 30.4 t70 54.68 75.97 0.27 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.862 1.265 . . . . 74.51 111.886 175.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.558 HE21 ' HG3' ' A' ' 87' ' ' GLN . 49.3 mt-30 -143.32 135.24 26.74 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.437 0.695 . . . . 73.2 109.718 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.3 -37.81 88.29 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.613 1.165 . . . . 73.23 112.284 -178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.45 -47.46 67.09 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 123.773 0.829 . . . . 64.42 109.554 178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 89' ' ' GLN . 8.0 tt -58.77 -39.0 79.74 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 114.226 -1.352 . . . . 62.45 110.707 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -75.2 -39.2 60.36 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.607 0.763 . . . . 74.14 109.888 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -53.42 -51.66 61.91 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.578 0.751 . . . . 73.5 110.779 -174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 65.0 t80 -71.31 -40.86 70.53 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.048 -0.978 . . . . 72.01 110.997 -179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.821 ' HB2' ' HE2' ' A' ' 84' ' ' LYS . 29.2 t80 -52.48 -35.71 53.38 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.466 1.506 . . . . 74.12 112.918 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -66.12 -35.38 80.34 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.843 0.714 . . . . 53.53 110.557 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -36.38 74.25 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 123.1 0.56 . . . . 72.33 112.161 178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -66.82 -47.76 71.04 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 123.617 0.767 . . . . 43.43 110.84 -175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -75.69 -38.97 58.21 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.148 -0.933 . . . . 62.52 111.959 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 ttmm -65.54 -34.08 77.43 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.239 0.616 . . . . 75.32 110.466 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -71.68 -62.72 1.31 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 115.21 -0.904 . . . . 72.55 110.301 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.77 -9.98 2.1 Favored Glycine 0 C--N 1.346 1.108 0 CA-C-N 115.536 -0.756 . . . . 45.13 112.803 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.71 130.53 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 117.149 0.475 . . . . 63.12 110.258 173.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.412 ' HB2' HH12 ' A' ' 79' ' ' ARG . 4.2 t70 -76.62 138.49 40.13 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.384 0.673 . . . . 73.22 109.501 -177.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 p -135.97 118.29 21.25 Favored 'Isoleucine or valine' 0 C--O 1.241 0.655 0 C-N-CA 123.584 0.754 . . . . 73.31 109.193 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -88.44 106.77 18.49 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.424 -0.954 . . . . 74.23 108.424 172.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.5 m -84.93 111.41 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.752 -1.203 . . . . 72.42 107.752 168.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 115' ' ' ALA . 88.9 m -76.9 -38.31 53.76 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.953 -1.021 . . . . 74.23 109.593 176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.2 t70 72.66 5.94 5.32 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.463 1.505 . . . . 74.11 112.366 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -150.71 164.18 36.77 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.091 0.956 . . . . 71.41 109.777 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.98 -36.92 14.69 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.065 -0.971 . . . . 74.21 110.423 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.76 -47.1 87.04 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 124.103 0.961 . . . . 73.41 111.299 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -76.99 -28.78 55.21 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.556 -0.747 . . . . 34.51 111.161 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.71 -49.5 74.97 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.132 0.573 . . . . 52.52 111.944 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HB2' HG21 ' A' ' 21' ' ' VAL . 58.5 pttt -64.15 -36.64 84.69 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.808 -0.633 . . . . 73.53 111.849 178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -63.42 -43.92 96.1 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 116.069 -0.514 . . . . 74.33 110.613 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.6 tpp180 -57.51 -47.24 82.49 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 124.939 1.296 . . . . 72.31 109.596 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 97.2 mt -55.85 -53.73 53.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.547 1.139 . . . . 72.54 111.769 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.3 tmpt? -67.62 -37.61 82.74 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 115.364 -0.835 . . . . 62.23 110.358 -176.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -67.33 -29.62 69.23 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.011 0.924 . . . . 74.1 112.016 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 61.3 mt -76.37 -32.05 58.37 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 122.752 0.421 . . . . 72.54 110.65 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.3 mp -70.13 -21.27 63.11 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 123.239 0.616 . . . . 75.55 112.209 174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -57.77 -28.4 63.93 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 123.02 0.528 . . . . 63.21 111.309 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.406 ' HG2' HG12 ' A' ' 126' ' ' VAL . 39.5 ttmt -126.86 -73.38 0.62 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.711 0.804 . . . . 54.31 110.353 -175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.406 HG12 ' HG2' ' A' ' 125' ' ' LYS . 7.2 p -167.28 -40.66 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 122.818 0.447 . . . . 75.25 111.482 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.434 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . 81.48 82.35 0.83 Allowed Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.048 -0.421 . . . . 62.23 112.048 -173.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.2 t -150.03 9.67 0.68 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 123.161 0.584 . . . . 60.31 111.513 -177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.6 tp -167.25 159.66 12.94 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 122.601 0.36 . . . . 65.41 110.908 -176.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -53.49 142.51 22.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.929 1.292 . . . . 64.4 112.197 166.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -100.02 2.43 43.4 Favored 'General case' 0 CA--C 1.559 1.315 0 CA-C-N 115.695 -0.684 . . . . 55.11 110.462 174.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -140.63 139.81 34.92 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.737 0.815 . . . . 72.0 109.46 175.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -74.79 100.37 4.01 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 108.6 -0.889 . . . . 62.44 108.6 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -77.65 87.87 3.93 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.267 1.027 . . . . 74.45 109.833 -169.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -76.01 -51.4 12.43 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 108.811 -0.811 . . . . 65.15 108.811 175.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 81.6 t60 . . . . . 0 CA--C 1.55 0.956 0 C-N-CA 124.338 1.055 . . . . 53.05 108.49 179.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HB2' HG21 ' A' ' 126' ' ' VAL . 1.2 mpt? . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 110.187 -0.301 . . . . 63.21 110.187 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.43 60.94 3.62 Favored Glycine 0 C--N 1.349 1.284 0 CA-C-N 116.372 -0.376 . . . . 53.23 113.166 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 38.6 p -119.25 105.03 10.94 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 123.271 0.628 . . . . 75.53 109.739 179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.19 115.32 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.192 -1.781 . . . . 74.14 106.192 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 27.1 m -115.94 132.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 109.221 -0.659 . . . . 70.01 109.221 -179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.439 HG23 ' HB ' ' A' ' 56' ' ' ILE . 3.7 mp -120.97 114.31 42.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 N-CA-C 108.626 -0.879 . . . . 72.41 108.626 -172.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.5 t -85.45 116.67 29.11 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 C-N-CA 123.794 0.837 . . . . 63.03 109.022 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 11.4 t -126.1 143.68 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 N-CA-C 108.001 -1.111 . . . . 75.11 108.001 176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 t -173.47 135.31 0.54 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.557 0.743 . . . . 71.3 109.494 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -54.41 -24.86 21.61 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.294 1.038 . . . . 71.54 111.695 178.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -104.03 125.8 50.67 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.719 0.807 . . . . 74.15 111.454 -177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.75 -29.36 69.86 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.904 1.282 . . . . 71.2 112.561 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.2 mtm105 -64.29 -27.15 68.84 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.532 0.333 . . . . 72.52 111.477 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.62 -36.64 41.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 122.994 0.518 . . . . 74.33 109.64 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.98 -35.66 81.89 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.369 0.267 . . . . 74.13 110.727 173.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.27 -50.81 24.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.54 0.736 . . . . 74.0 110.584 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.45 -51.61 68.74 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.177 0.991 . . . . 72.53 110.869 -176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.5 mp -69.19 -27.54 65.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.537 -1.211 . . . . 75.1 111.247 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 47.8 tp -58.23 -49.24 77.79 Favored 'General case' 0 N--CA 1.481 1.102 0 O-C-N 123.446 0.466 . . . . 74.51 110.527 173.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -68.21 -33.79 75.07 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.404 -0.816 . . . . 71.01 110.906 -176.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 116' ' ' LYS . 88.1 t -62.74 -36.85 77.25 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 O-C-N 123.685 0.616 . . . . 74.03 110.538 174.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.9 t -70.59 -49.45 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.287 0.635 . . . . 62.4 110.273 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -59.8 -41.05 90.38 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 123.964 0.906 . . . . 71.15 112.5 -176.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -79.32 -26.81 42.15 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 122.791 0.436 . . . . 62.23 111.56 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 t -78.54 -41.53 31.89 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-O 121.164 0.507 . . . . 72.33 110.538 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -148.74 106.53 3.47 Favored Pre-proline 0 CA--C 1.549 0.929 0 N-CA-C 108.592 -0.892 . . . . 60.52 108.592 -177.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -79.18 -2.86 12.69 Favored 'Trans proline' 0 C--N 1.376 2.01 0 C-N-CA 123.007 2.471 . . . . 65.31 113.343 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 19.8 m-80 -80.74 -38.57 28.47 Favored 'General case' 0 C--N 1.343 0.305 0 N-CA-C 109.426 -0.583 . . . . 73.21 109.426 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.668 HG11 HG23 ' A' ' 55' ' ' VAL . 59.8 t -53.1 113.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.99 0 O-C-N 124.037 0.836 . . . . 33.52 110.395 -178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.25 -35.02 74.53 Favored 'General case' 0 CA--C 1.552 1.045 0 O-C-N 124.118 0.886 . . . . 71.42 110.543 -174.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.3 p 59.19 130.8 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 126.428 1.891 . . . . 61.1 112.486 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 HG22 ' A' ' 34' ' ' THR . 23.3 t -127.43 123.17 61.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.36 -0.978 . . . . 74.33 108.36 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -116.42 97.76 6.2 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 109.08 -0.711 . . . . 75.14 109.08 174.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -175.84 152.72 1.28 Allowed 'General case' 0 C--O 1.241 0.614 0 C-N-CA 124.365 1.066 . . . . 54.32 109.537 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' HB3' ' A' ' 62' ' ' TYR . 7.6 p-10 -97.27 -2.54 42.43 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.385 0.674 . . . . 71.03 110.786 173.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -58.28 101.96 0.1 Allowed 'General case' 0 C--N 1.364 1.216 0 C-N-CA 123.756 0.823 . . . . 73.34 109.339 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -57.39 -46.76 83.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.977 1.311 . . . . 61.43 113.283 -167.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -74.94 -28.44 60.59 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 122.932 0.493 . . . . 71.41 110.715 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 34' ' ' THR . 65.8 tttp -67.96 -49.61 60.68 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 122.427 0.291 . . . . 74.44 110.65 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.406 ' O ' HG13 ' A' ' 44' ' ' ILE . 99.1 t -61.0 -36.31 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 123.428 0.455 . . . . 60.0 110.89 -175.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.73 -42.15 98.58 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.457 0.703 . . . . 53.03 111.442 172.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -29.63 68.32 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 124.397 1.079 . . . . 64.54 109.202 -179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.32 -34.72 59.02 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.018 0.927 . . . . 64.12 111.046 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 40' ' ' VAL . 82.4 mt -63.16 -36.37 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.707 0.803 . . . . 73.33 109.903 173.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.5 -38.72 72.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.945 0.898 . . . . 73.02 110.209 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -71.99 -46.44 57.29 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 115.795 -0.639 . . . . 73.43 111.087 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.93 -35.06 79.58 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.536 0.734 . . . . 55.41 112.399 -172.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -69.17 -34.62 75.23 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 122.916 0.486 . . . . 73.14 110.265 175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -68.97 -38.56 79.43 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 124.354 1.061 . . . . 64.13 110.973 -174.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -88.28 -44.59 10.71 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.636 -0.711 . . . . 63.12 110.667 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.06 -10.34 47.67 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 115.949 -0.569 . . . . 64.42 113.442 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 28' ' ' ASN . 27.7 ptt180 -73.1 155.47 90.21 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 123.644 0.778 . . . . 72.41 110.003 176.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -68.96 162.58 41.03 Favored 'Trans proline' 0 C--N 1.377 2.078 0 C-N-CA 122.145 1.896 . . . . 70.12 112.593 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 12.7 tt -131.86 127.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.68 -0.859 . . . . 63.41 108.68 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.668 HG23 HG11 ' A' ' 29' ' ' VAL . 15.8 t -118.54 119.77 62.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.524 -0.547 . . . . 43.23 109.524 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' A' ' 6' ' ' ILE . 31.1 mm -98.23 136.56 28.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.364 0.665 . . . . 72.12 109.591 -176.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -119.64 118.84 32.02 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.331 0.652 . . . . 74.23 110.172 -177.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' GLU . 6.1 pt -145.56 149.72 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.917 1.287 . . . . 63.32 109.038 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -74.29 -81.74 0.07 Allowed 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 119.393 -0.337 . . . . 50.54 111.539 -173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -147.84 -67.98 0.01 OUTLIER Glycine 0 N--CA 1.476 1.31 0 CA-C-N 119.144 0.883 . . . . 74.05 113.337 -174.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.58 -23.38 64.61 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.48 0.712 . . . . 71.24 112.043 176.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.478 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 66.3 m-85 -68.21 -29.25 68.05 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.76 1.224 . . . . 75.44 111.83 177.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.511 ' HG3' HG21 ' A' ' 8' ' ' VAL . 29.1 tt0 -59.32 -28.36 66.73 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.527 0.731 . . . . 73.33 111.407 -178.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.44 -31.15 44.08 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 124.251 1.021 . . . . 73.24 112.474 -179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.7 t -77.63 -24.84 14.57 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.584 0 C-N-CA 124.853 1.261 . . . . 73.51 112.505 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -53.28 -31.35 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 C-N-CA 124.071 0.948 . . . . 74.34 113.007 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.7 ttp-105 -56.64 -34.93 67.78 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.313 0.645 . . . . 70.23 112.209 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.26 -44.48 62.76 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 121.325 0.583 . . . . 63.21 110.022 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.46 -40.46 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-N 114.762 -1.108 . . . . 71.02 111.625 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.521 HG23 HG21 ' A' ' 80' ' ' VAL . 10.8 p -67.46 -31.1 51.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 115.162 -0.926 . . . . 44.52 111.137 -171.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -57.28 -30.61 64.84 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.968 0.907 . . . . 70.11 111.435 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -69.6 -47.61 62.92 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 115.676 -0.693 . . . . 65.24 110.148 176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.87 -27.85 68.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.623 -0.717 . . . . 73.02 111.117 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -70.76 -37.31 73.4 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.507 0.723 . . . . 74.12 110.61 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.36 -43.69 92.8 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-O 121.465 0.65 . . . . 74.53 109.689 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -76.09 -11.71 59.99 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.41 -1.268 . . . . 74.04 112.271 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.55 9.31 78.02 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 123.115 0.388 . . . . 63.34 113.943 177.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 mt -73.75 138.41 44.58 Favored 'General case' 0 C--O 1.243 0.761 0 C-N-CA 123.596 0.758 . . . . 73.14 109.566 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.527 ' NH2' HD22 ' A' ' 81' ' ' LEU . 2.8 ptt180 -71.15 136.68 48.26 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 108.094 -1.076 . . . . 72.34 108.094 171.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.521 HG21 HG23 ' A' ' 70' ' ' VAL . 81.4 t -119.92 133.37 66.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 N-CA-C 107.477 -1.305 . . . . 73.32 107.477 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.527 HD22 ' NH2' ' A' ' 79' ' ' ARG . 62.3 tp -135.75 106.48 6.56 Favored 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 107.437 -1.32 . . . . 52.55 107.437 -169.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.489 ' HB ' HG23 ' A' ' 106' ' ' VAL . 57.5 t -97.7 111.42 27.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 107.912 -1.144 . . . . 73.11 107.912 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 85.1 mt -99.68 108.82 23.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 107.749 -1.204 . . . . 71.35 107.749 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.645 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -137.33 142.36 41.84 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.266 0.555 . . . . 64.13 112.179 -170.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' A' ' 87' ' ' GLN . 97.8 t -83.87 124.19 39.49 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.971 0 CA-C-N 115.041 -0.981 . . . . 74.33 108.769 -179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.44 -71.02 0.31 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.568 0.747 . . . . 74.14 112.204 -170.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' A' ' 85' ' ' VAL . 92.8 mm-40 62.49 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 125.435 1.494 . . . . 75.14 111.674 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -59.17 -49.97 75.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.392 1.077 . . . . 75.33 110.732 173.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 74.17 -67.4 0.26 Allowed 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 125.584 1.554 . . . . 72.53 112.153 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -70.62 -47.42 60.18 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.978 1.103 . . . . 51.32 113.978 -162.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 mp -76.99 -29.84 55.67 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-O 121.198 0.523 . . . . 75.24 109.944 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.559 HD21 ' HE3' ' A' ' 84' ' ' LYS . 0.6 OUTLIER -70.07 -24.34 63.22 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.949 1.3 . . . . 54.15 110.852 174.451 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.699 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 42.2 tt0 -70.62 -22.27 62.55 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.885 1.274 . . . . 74.15 111.392 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -53.48 -51.29 63.22 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 123.069 0.548 . . . . 53.13 110.924 173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -79.32 -41.22 28.48 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 122.252 0.221 . . . . 73.22 111.219 177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.699 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 74.8 t80 -54.29 -48.47 71.23 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.574 0.749 . . . . 73.45 111.311 -177.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.52 -29.32 68.69 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.518 0.727 . . . . 62.34 111.475 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -47.2 81.69 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.78 0.832 . . . . 65.22 109.697 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -74.79 -31.9 61.87 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 115.389 -0.823 . . . . 74.15 110.755 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.6 mmpt? -71.55 -32.89 68.63 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.379 0.609 . . . . 75.15 110.475 177.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -78.16 -29.74 48.82 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.039 1.336 . . . . 61.42 110.015 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.4 -66.16 0.72 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.258 -0.883 . . . . 61.34 110.272 175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.17 -21.71 0.57 Allowed Glycine 0 C--N 1.342 0.91 0 CA-C-N 115.086 -0.961 . . . . 63.5 111.756 -174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.482 HG21 HG21 ' A' ' 70' ' ' VAL . 99.1 t -62.31 135.08 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 123.937 0.895 . . . . 73.32 111.343 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.504 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 35.8 t0 -87.29 86.77 7.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.225 0.536 . . . . 73.21 110.287 -175.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG23 ' HB ' ' A' ' 82' ' ' VAL . 7.6 p -92.97 142.7 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.559 -0.904 . . . . 75.3 108.559 171.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -132.26 127.59 36.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.225 1.01 . . . . 72.43 109.324 -165.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 m -93.6 113.96 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 108.955 -0.758 . . . . 33.11 108.955 168.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.6 p -88.87 -51.28 5.72 Favored 'General case' 0 C--O 1.241 0.651 0 N-CA-C 109.235 -0.654 . . . . 72.11 109.235 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.2 t70 76.3 -49.19 0.58 Allowed 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 125.838 1.655 . . . . 64.43 112.307 174.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -74.01 152.06 40.11 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.634 0.773 . . . . 71.14 111.254 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -63.99 -64.17 0.96 Allowed 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.295 1.038 . . . . 71.14 112.198 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 2.4 t70 -75.79 -29.82 58.86 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 115.806 -0.634 . . . . 71.42 111.467 -169.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -61.0 -31.52 71.13 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 122.359 -0.213 . . . . 74.0 111.329 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.63 85.51 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.613 0.765 . . . . 55.35 112.357 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 21' ' ' VAL . 14.7 ptmt -73.4 -33.62 65.08 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.136 0.575 . . . . 72.52 112.308 179.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 98.1 mttt -58.13 -45.24 87.65 Favored 'General case' 0 N--CA 1.483 1.185 0 O-C-N 123.48 0.487 . . . . 55.33 110.844 178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -54.78 -51.34 66.05 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.186 0.929 . . . . 70.24 110.841 -179.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.79 -51.72 64.88 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.784 0.834 . . . . 71.5 112.561 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -63.73 -41.09 98.11 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 123.779 0.675 . . . . 73.03 110.83 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.459 ' HA ' ' HG2' ' A' ' 124' ' ' GLU . 77.0 mt-10 -69.23 -33.75 73.77 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.956 0.785 . . . . 61.12 111.815 -177.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 80.7 mt -67.0 -46.87 73.23 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.448 -0.575 . . . . 73.31 109.448 174.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.81 -18.89 65.51 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.214 1.406 . . . . 71.35 112.584 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.459 ' HG2' ' HA ' ' A' ' 121' ' ' GLU . 33.5 mm-40 -56.29 -32.33 64.48 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-N 118.218 0.463 . . . . 73.31 111.224 174.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -61.76 1.41 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.899 0.879 . . . . 65.31 109.288 173.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.541 HG21 ' HB2' ' A' ' 1' ' ' MET . 7.3 p -168.39 -53.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 C-N-CA 123.4 0.68 . . . . 74.14 110.08 177.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . -179.69 40.97 0.08 OUTLIER Glycine 0 C--N 1.339 0.708 0 N-CA-C 110.427 -1.069 . . . . 72.44 110.427 -177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.4 t -161.36 150.65 16.46 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.974 0.91 . . . . 51.1 110.246 -174.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 42.3 tp 68.01 136.45 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 125.968 1.707 . . . . 55.11 111.577 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -159.34 175.13 13.73 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 124.032 0.933 . . . . 75.03 110.101 -171.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -91.66 55.53 2.75 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 121.842 0.829 . . . . 75.33 109.338 176.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -72.2 145.72 47.82 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.36 -0.836 . . . . 72.45 109.16 169.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -152.98 112.36 3.84 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 107.536 -1.283 . . . . 73.24 107.536 176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -70.72 91.43 0.82 Allowed 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.918 -0.583 . . . . 64.31 109.579 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -67.86 98.28 0.72 Allowed 'General case' 0 C--O 1.241 0.607 0 CA-C-N 115.649 -0.705 . . . . 74.54 109.824 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 34.3 m80 . . . . . 0 CA--C 1.552 1.028 0 CA-C-O 118.405 -0.807 . . . . 74.12 108.938 176.358 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.342 0.591 . . . . 74.13 110.152 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.46 48.82 0.11 Allowed Glycine 0 C--N 1.352 1.456 0 CA-C-N 115.891 -0.595 . . . . 61.0 112.005 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 53' ' ' PRO . 73.8 m -83.17 131.06 35.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.887 0.475 . . . . 74.45 110.28 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.34 112.37 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 106.568 -1.641 . . . . 64.41 106.568 176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 16.0 m -112.28 113.22 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.76 0.824 . . . . 74.35 109.504 -179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.659 HG21 HG21 ' A' ' 66' ' ' VAL . 4.0 mp -103.12 111.23 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.993 -0.743 . . . . 54.3 108.993 -173.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 59.1 t -90.02 119.52 37.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-O 121.208 0.528 . . . . 61.43 110.071 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.613 HG21 ' HG3' ' A' ' 63' ' ' GLU . 22.2 t -125.17 144.14 36.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 115.209 -0.905 . . . . 72.05 109.468 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 m -151.59 151.16 31.16 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 108.599 -0.889 . . . . 74.44 108.599 175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -69.26 -36.39 77.08 Favored 'General case' 0 N--CA 1.48 1.04 0 N-CA-C 109.656 -0.498 . . . . 74.5 109.656 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -89.21 137.01 32.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 116.13 -0.486 . . . . 71.51 110.148 173.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -80.85 -35.65 32.49 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.143 -0.935 . . . . 60.24 110.825 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -64.97 -27.4 68.81 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.682 0.393 . . . . 63.1 111.526 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.98 -44.49 99.69 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 N-CA-C 109.076 -0.713 . . . . 73.55 109.076 173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.2 mt -60.92 -39.4 89.26 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.075 0.55 . . . . 71.42 111.647 176.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.18 -44.7 68.2 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.643 -0.708 . . . . 65.55 110.926 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -67.11 -46.46 74.13 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.978 0.911 . . . . 72.11 110.873 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.76 -27.7 66.99 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.567 1.147 . . . . 71.33 111.829 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 20.6 tp -54.16 -53.68 50.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.335 0.654 . . . . 73.55 109.732 173.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.38 -29.8 70.55 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 114.336 -1.302 . . . . 71.52 111.062 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.609 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 93.6 t -62.39 -41.24 90.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 C-N-CA 123.413 0.685 . . . . 72.02 110.841 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG11 HG21 ' A' ' 55' ' ' VAL . 92.9 t -69.0 -48.98 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 122.688 0.395 . . . . 72.24 110.246 176.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mp -54.89 -45.65 74.7 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.739 0.816 . . . . 72.32 112.167 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 63.6 pttt -76.38 -29.02 56.97 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 122.595 0.358 . . . . 74.33 110.957 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -70.74 -49.36 47.72 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 122.964 0.506 . . . . 71.1 109.729 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -161.13 108.12 1.25 Allowed Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.744 0.818 . . . . 71.21 109.35 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.67 -20.28 40.67 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.902 2.401 . . . . 63.53 113.073 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -60.97 -41.54 96.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.795 0.438 . . . . 72.11 110.14 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.6 t -60.61 117.44 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 115.612 -0.722 . . . . 73.52 109.21 171.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' HE3' ' HB3' ' A' ' 46' ' ' LYS . 67.0 mttm -72.2 150.38 43.78 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.174 0.589 . . . . 62.33 111.085 -175.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.555 HG22 ' HB ' ' A' ' 55' ' ' VAL . 32.6 p -137.98 120.86 16.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.419 1.088 . . . . 74.21 109.208 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' HG3' ' A' ' 43' ' ' GLU . 44.1 t -123.43 113.8 39.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.544 -0.91 . . . . 54.34 108.544 -179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -108.96 96.95 6.67 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 108.129 -1.063 . . . . 75.45 108.129 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.635 HG21 ' HG2' ' A' ' 39' ' ' LYS . 14.5 t -163.15 158.95 22.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.825 0.85 . . . . 74.33 110.193 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -79.47 -28.19 41.53 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.423 0.689 . . . . 75.32 110.66 172.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -66.01 113.44 4.44 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 123.198 0.599 . . . . 71.5 110.449 -163.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.582 ' HE3' HG13 ' A' ' 65' ' ' VAL . 8.9 ptpp? -70.49 -36.22 73.7 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.59 -0.732 . . . . 62.04 111.672 -171.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -70.74 -29.07 65.22 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 123.345 0.403 . . . . 73.31 110.281 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.635 ' HG2' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -60.79 -50.52 73.12 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 123.851 0.719 . . . . 72.14 110.375 170.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 44' ' ' ILE . 67.6 t -57.88 -42.56 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 123.841 0.713 . . . . 73.12 110.916 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.65 -39.67 94.93 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.546 0.738 . . . . 73.55 111.892 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 45' ' ' GLU . 37.9 mt-10 -57.7 -53.0 63.12 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.931 0.769 . . . . 73.33 108.947 174.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.597 ' HA ' ' HD3' ' A' ' 46' ' ' LYS . 34.9 mm-40 -69.88 -24.69 63.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.205 0.817 . . . . 73.2 113.205 -173.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 40' ' ' VAL . 62.2 mt -56.37 -36.47 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 C-N-CA 123.53 0.732 . . . . 73.11 110.348 170.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' HB3' ' O ' ' A' ' 42' ' ' GLU . 29.5 tt0 -61.19 -50.4 73.3 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 123.349 0.66 . . . . 73.24 110.125 173.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.652 ' HB3' ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -65.13 -30.17 71.07 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 124.064 0.852 . . . . 62.05 111.771 -176.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.13 -53.67 52.15 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.823 0.849 . . . . 63.23 111.1 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -74.26 -27.31 60.69 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.005 0.522 . . . . 74.21 111.38 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -63.88 -40.07 95.67 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.475 1.11 . . . . 61.31 110.058 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -95.11 -10.98 29.09 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.29 -0.868 . . . . 70.2 111.161 176.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.83 18.81 72.78 Favored Glycine 0 C--N 1.351 1.414 0 O-C-N 123.417 0.448 . . . . 43.44 113.4 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -98.46 160.88 27.0 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 123.574 0.749 . . . . 74.1 110.514 -175.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.484 ' HA ' ' O ' ' A' ' 3' ' ' THR . 24.3 Cg_exo -63.88 153.07 77.84 Favored 'Trans proline' 0 C--N 1.37 1.675 0 C-N-CA 121.7 1.6 . . . . 71.33 111.534 162.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 tt -131.06 134.09 61.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 N-CA-C 108.668 -0.864 . . . . 72.44 108.668 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.574 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -116.65 107.96 23.81 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 122.754 0.422 . . . . 63.03 110.005 -168.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mm -97.74 112.61 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.528 0.731 . . . . 72.42 109.624 -175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 72.1 m-85 -96.28 110.9 23.13 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.226 0.61 . . . . 72.42 110.994 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.529 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -140.04 156.7 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.63 1.172 . . . . 71.44 109.806 178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.5 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 74.2 ttt180 -87.5 162.77 17.04 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.215 0.606 . . . . 64.04 109.69 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.26 -23.93 14.28 Favored Glycine 0 C--N 1.36 1.894 0 N-CA-C 115.544 0.977 . . . . 64.03 115.544 -177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.25 -52.81 14.68 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.365 0.666 . . . . 63.51 110.422 174.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.529 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 35.9 m-85 -65.38 -25.95 67.79 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.781 1.232 . . . . 74.34 112.058 -178.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.613 ' HG3' HG21 ' A' ' 8' ' ' VAL . 36.8 tt0 -50.97 -38.14 49.06 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.695 1.198 . . . . 75.02 113.403 -173.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.78 -27.84 60.33 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.434 0.693 . . . . 35.42 112.229 -175.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 HG13 ' HE3' ' A' ' 37' ' ' LYS . 59.7 t -60.59 -37.81 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 124.289 1.036 . . . . 63.11 112.344 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.659 HG21 HG21 ' A' ' 6' ' ' ILE . 88.4 t -56.89 -30.08 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 123.382 0.673 . . . . 54.21 111.86 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.1 ttp180 -49.9 -44.02 49.87 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 124.105 0.962 . . . . 72.0 110.962 176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -76.59 -39.95 51.02 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.86 0.864 . . . . 74.44 110.929 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.0 -28.78 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 124.524 1.13 . . . . 64.25 111.289 178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.741 HG22 HG11 ' A' ' 80' ' ' VAL . 47.0 t -54.08 -46.89 66.73 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 C-N-CA 124.323 1.049 . . . . 61.5 109.91 175.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 32.4 tt0 -53.17 -48.05 68.33 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 124.541 1.151 . . . . 75.51 110.754 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -57.08 -50.99 71.06 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.224 0.953 . . . . 73.34 110.707 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.97 -30.64 71.7 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.76 0.824 . . . . 52.43 111.996 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 89.6 mt-30 -74.22 -29.63 61.81 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 122.8 0.44 . . . . 54.25 110.629 175.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.1 mmtt -69.44 -32.57 71.61 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 109.56 -0.533 . . . . 72.02 109.56 172.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -73.11 -21.39 60.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.063 0.945 . . . . 73.02 111.01 173.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.75 18.29 79.72 Favored Glycine 0 C--N 1.351 1.364 0 CA-C-N 116.502 -0.317 . . . . 43.23 112.824 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.1 mt -88.97 169.51 11.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.895 0.878 . . . . 74.43 111.435 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.442 ' NH2' HD11 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -81.88 125.75 31.08 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 114.361 -1.29 . . . . 74.14 108.135 179.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.741 HG11 HG22 ' A' ' 70' ' ' VAL . 12.2 t -108.17 119.99 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.767 -0.827 . . . . 75.31 108.767 174.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 30.6 tp -139.42 115.3 10.17 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 124.14 0.976 . . . . 34.32 108.837 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.691 ' HB ' HG12 ' A' ' 106' ' ' VAL . 45.4 t -103.59 111.09 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 119.284 0.947 . . . . 73.11 109.139 177.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.534 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 56.3 mt -100.08 104.95 16.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 107.612 -1.255 . . . . 64.3 107.612 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.02 143.45 42.72 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.631 0.729 . . . . 74.03 112.322 -167.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 87' ' ' GLN . 76.4 t -80.9 106.64 12.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 107.513 -1.291 . . . . 64.24 107.513 178.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.494 ' HA ' HD21 ' A' ' 92' ' ' LEU . . . -56.71 -54.8 42.03 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 124.394 1.059 . . . . 52.02 111.303 -175.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.514 ' HB2' HG12 ' A' ' 85' ' ' VAL . 38.6 tt0 59.62 18.19 6.87 Favored 'General case' 0 CA--C 1.561 1.403 0 O-C-N 124.522 1.139 . . . . 65.02 111.732 168.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.4 t70 52.77 78.03 0.15 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 125.351 1.46 . . . . 73.44 111.213 -173.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' HB2' ' HB3' ' A' ' 92' ' ' LEU . 87.1 mm-40 -136.91 117.38 13.74 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 124.045 0.938 . . . . 63.01 109.055 -175.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.8 -45.1 95.31 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.256 1.022 . . . . 74.41 112.967 -171.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.01 -35.54 80.57 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 123.512 0.725 . . . . 72.0 110.182 -179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.494 HD21 ' HA ' ' A' ' 86' ' ' ALA . 4.6 tt -71.82 -36.71 70.3 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.187 -1.37 . . . . 74.04 110.826 177.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.26 -27.31 62.41 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.073 0.949 . . . . 74.02 111.193 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -68.59 -48.64 63.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.354 0.662 . . . . 74.4 109.947 175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -61.96 -41.32 97.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.434 -0.803 . . . . 64.12 110.542 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -53.72 -53.15 56.15 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.272 1.029 . . . . 70.11 109.984 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.79 -33.33 73.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.212 1.005 . . . . 53.04 111.721 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -58.63 -52.82 64.06 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.422 1.089 . . . . 72.32 111.39 -176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.592 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.3 mp -70.65 -30.85 67.58 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.496 0.719 . . . . 65.22 111.398 -176.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -68.0 -29.23 68.2 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.584 0.754 . . . . 61.24 110.708 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -69.86 -46.99 64.34 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.512 0.725 . . . . 60.54 110.124 173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.8 -37.92 87.57 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.45 0.7 . . . . 73.2 111.753 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 110.05 55.26 0.54 Allowed Glycine 0 C--N 1.337 0.599 0 N-CA-C 110.794 -0.922 . . . . 61.31 110.794 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 60.6 t -138.66 148.44 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.591 1.156 . . . . 61.03 108.401 -177.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -94.25 124.09 38.05 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.245 0.545 . . . . 74.14 111.499 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG12 ' HB ' ' A' ' 82' ' ' VAL . 2.4 m -116.66 116.74 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 125.382 1.473 . . . . 63.11 107.852 169.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' NH2' ' HB2' ' A' ' 130' ' ' GLU . 21.9 mmm180 -88.66 110.46 20.97 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.386 0.674 . . . . 73.1 109.935 176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 6.6 m -86.0 113.91 24.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 108.7 -0.852 . . . . 73.33 108.7 168.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 115' ' ' ALA . 72.4 p -86.88 -24.64 24.81 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.221 -0.9 . . . . 72.14 109.374 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 74.58 -58.36 0.58 Allowed 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.222 1.809 . . . . 74.53 112.305 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.95 158.09 18.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.67 0.788 . . . . 54.43 109.539 170.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.483 ' HG3' HG11 ' A' ' 85' ' ' VAL . 3.1 mp0 -80.15 -43.33 21.81 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.071 1.348 . . . . 73.42 110.833 -168.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.72 -29.31 65.55 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 114.85 -1.068 . . . . 51.14 110.418 177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.44 -35.5 77.76 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 123.484 0.49 . . . . 62.2 110.991 172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.455 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -72.84 -42.47 63.73 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.239 0.337 . . . . 64.43 110.868 175.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HG3' HG21 ' A' ' 21' ' ' VAL . 38.1 ttmt -55.66 -51.87 65.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.708 1.203 . . . . 65.42 111.836 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -68.02 -33.51 74.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.581 -0.736 . . . . 74.42 110.554 178.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -71.73 -27.75 63.21 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.429 0.692 . . . . 72.04 112.07 -178.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 123' ' ' LEU . 25.5 mt -63.69 -45.01 91.98 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.958 -0.386 . . . . 72.02 109.958 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.09 -47.38 51.76 Favored 'General case' 0 CA--C 1.551 1.01 0 O-C-N 124.478 1.111 . . . . 73.33 110.876 177.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.23 -44.92 94.81 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.832 1.253 . . . . 75.22 111.63 -173.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.09 -29.6 49.11 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 115.244 -0.889 . . . . 72.31 111.538 177.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 119' ' ' LEU . 1.8 tp -59.86 -42.86 94.59 Favored 'General case' 0 N--CA 1.503 2.218 0 C-N-CA 123.677 0.791 . . . . 73.24 110.664 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.02 -32.03 71.65 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.664 -1.153 . . . . 73.41 110.831 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -93.67 17.79 11.21 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.775 0.83 . . . . 75.33 111.276 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 11.7 t 58.88 50.48 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 124.998 1.319 . . . . 34.32 110.933 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' THR . . . 70.31 57.52 6.72 Favored Glycine 0 C--N 1.347 1.17 0 CA-C-N 114.344 -1.298 . . . . 64.45 112.616 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.4 t -86.08 177.28 7.6 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 122.989 0.516 . . . . 74.3 110.949 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.442 HD11 ' NH2' ' A' ' 79' ' ' ARG . 7.6 mp -93.81 165.55 12.63 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.142 0.977 . . . . 73.33 110.082 172.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.437 ' HB2' ' NH2' ' A' ' 107' ' ' ARG . 26.4 mt-10 -79.33 99.37 7.09 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.757 -0.831 . . . . 52.2 108.757 174.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -86.95 14.82 6.69 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 111.747 0.277 . . . . 73.43 111.747 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -132.11 -46.57 0.93 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.12 0.568 . . . . 63.15 110.07 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -72.42 101.73 3.0 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.336 -0.616 . . . . 71.41 109.336 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 12.8 t-80 -102.29 -11.76 18.47 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.18 0.992 . . . . 75.43 111.062 -174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 6.4 t60 70.64 -68.67 0.2 Allowed 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 125.583 1.553 . . . . 72.22 110.936 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 . . . . . 0 CA--C 1.558 1.261 0 C-N-CA 123.918 0.887 . . . . 74.0 109.811 -177.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.174 -0.306 . . . . 71.31 110.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.58 54.59 2.2 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.596 -0.601 . . . . 71.44 111.596 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.3 m -112.39 123.12 49.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.606 0.762 . . . . 71.23 109.458 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -94.96 113.73 30.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 106.358 -1.719 . . . . 64.53 106.358 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.594 ' HB ' HD11 ' A' ' 83' ' ' ILE . 12.6 m -114.75 112.79 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.24 0.616 . . . . 72.54 109.461 -175.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -105.3 110.88 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 108.85 -0.796 . . . . 53.41 108.85 -176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.475 HG21 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.67 107.12 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 121.418 0.628 . . . . 62.45 109.487 177.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.503 HG21 ' HG3' ' A' ' 63' ' ' GLU . 47.0 t -104.86 142.3 18.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.531 0 C-N-CA 124.466 1.106 . . . . 74.52 109.325 174.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -150.01 179.4 8.1 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.998 -0.546 . . . . 65.43 109.833 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -97.34 3.95 50.93 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.07 0.948 . . . . 74.41 111.752 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -137.75 161.36 36.76 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.175 0.59 . . . . 74.12 110.975 -171.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -85.54 -56.85 3.31 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 124.359 1.063 . . . . 75.04 110.985 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -70.37 -26.5 63.75 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.494 0.718 . . . . 72.3 112.711 -171.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.03 -44.16 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 N-CA-C 109.214 -0.661 . . . . 71.21 109.214 173.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.47 -32.2 73.05 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.205 0.602 . . . . 50.11 111.128 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -74.45 -41.81 60.17 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.199 0.6 . . . . 53.11 112.191 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.9 tt0 -62.97 -50.18 71.79 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 109.196 -0.668 . . . . 72.15 109.196 175.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' PHE . 6.7 mp -61.72 -33.84 74.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 113.653 -1.612 . . . . 53.35 111.39 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 tp -57.05 -46.83 82.13 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.856 0.862 . . . . 73.55 109.591 177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -71.37 -30.91 66.7 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 113.717 -1.583 . . . . 65.11 111.696 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 116' ' ' LYS . 91.9 t -63.27 -37.48 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 122.945 0.498 . . . . 71.35 110.035 175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG13 HD21 ' A' ' 123' ' ' LEU . 57.4 t -73.89 -43.77 52.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-N 115.85 -0.614 . . . . 74.13 110.027 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 76.8 mt -61.57 -39.44 91.15 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.894 0.878 . . . . 71.31 112.552 -178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -32.95 59.32 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 122.34 0.256 . . . . 65.1 110.458 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 t -76.49 -28.22 56.38 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.329 0.652 . . . . 64.3 110.687 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -166.34 109.26 0.7 Allowed Pre-proline 0 CA--C 1.554 1.133 0 C-N-CA 124.018 0.927 . . . . 70.1 108.75 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -81.33 -5.48 12.71 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.857 2.372 . . . . 54.32 113.818 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -94.54 -29.76 14.73 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.979 0.912 . . . . 61.32 111.252 -171.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -68.87 150.62 10.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 122.552 0.341 . . . . 61.21 111.134 177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -89.2 97.92 11.47 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.384 0.611 . . . . 72.53 111.067 -171.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.3 p -94.89 110.82 22.66 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.75 1.22 . . . . 51.31 109.441 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG21 ' HG3' ' A' ' 43' ' ' GLU . 26.8 t -132.46 115.17 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 122.567 0.347 . . . . 74.44 110.551 -173.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.689 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -106.87 108.83 20.53 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 123.044 0.538 . . . . 65.43 109.886 167.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.467 HG21 ' HD3' ' A' ' 39' ' ' LYS . 7.4 t -172.36 167.4 5.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.612 0.765 . . . . 71.13 110.338 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -118.98 84.82 2.26 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.658 0.783 . . . . 73.33 109.193 176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.1 -29.87 2.73 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 123.593 0.757 . . . . 72.42 110.629 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt 75.55 -64.1 0.38 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.269 1.428 . . . . 73.3 111.755 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 11.3 pt-20 -56.31 -36.91 69.23 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.649 1.18 . . . . 72.33 111.823 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HD3' HG21 ' A' ' 34' ' ' THR . 87.3 tttt -64.09 -40.67 96.75 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.05 0.54 . . . . 71.25 111.232 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.654 HG11 HD13 ' A' ' 69' ' ' ILE . 77.2 t -57.94 -41.93 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 O-C-N 123.799 0.687 . . . . 74.31 109.794 177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 95.9 mttt -65.64 -37.08 85.53 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 115.189 -0.914 . . . . 53.03 111.123 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 44.1 mt-10 -65.03 -43.35 92.7 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.395 0.678 . . . . 53.21 109.944 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.588 ' HG3' HG21 ' A' ' 32' ' ' VAL . 15.9 mm-40 -69.57 -29.85 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.735 0.814 . . . . 64.45 111.08 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.472 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 35.6 mt -59.7 -50.12 81.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.102 0 C-N-CA 123.923 0.889 . . . . 53.22 108.938 172.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.6 mt-10 -56.21 -48.1 77.09 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.451 1.094 . . . . 64.4 111.162 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -64.39 -39.82 94.61 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.497 1.123 . . . . 25.23 110.989 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.94 -53.36 21.31 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 122.805 0.442 . . . . 70.31 111.357 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 44' ' ' ILE . 2.4 ppt_? -69.2 -28.28 66.23 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 112.522 0.564 . . . . 64.14 112.522 -175.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 108.723 -0.843 . . . . 72.51 108.723 174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -97.86 10.53 39.96 Favored 'General case' 0 CA--C 1.561 1.396 0 C-N-CA 123.76 0.824 . . . . 51.4 111.582 -177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.42 52.27 50.38 Favored Glycine 0 C--N 1.355 1.621 0 C-N-CA 123.157 0.408 . . . . 54.25 113.921 175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -131.78 149.62 73.92 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 123.527 0.731 . . . . 75.1 110.673 -174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -73.12 151.07 49.07 Favored 'Trans proline' 0 C--N 1.372 1.773 0 C-N-CA 122.147 1.898 . . . . 55.01 110.584 161.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' ILE . 2.3 tt -117.79 123.56 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.679 0.792 . . . . 73.13 108.874 178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.8 t -107.8 109.21 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 122.978 0.511 . . . . 72.13 110.492 -175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.59 HD11 HD11 ' A' ' 54' ' ' ILE . 47.6 mm -104.78 114.06 43.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 C-N-CA 123.69 0.796 . . . . 50.34 110.562 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.689 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 70.7 m-85 -94.63 119.58 33.5 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.494 0.718 . . . . 64.33 109.527 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 4.8 pt -145.63 158.38 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.499 0.719 . . . . 74.14 109.943 176.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -89.09 170.6 10.5 Favored 'General case' 0 CA--C 1.551 1.013 0 N-CA-C 108.815 -0.809 . . . . 71.33 108.815 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -58.24 -31.27 65.55 Favored Glycine 0 N--CA 1.478 1.488 0 N-CA-C 115.436 0.934 . . . . 61.44 115.436 -171.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.44 59.65 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.377 0.608 . . . . 55.02 110.199 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 36.0 m-85 -64.96 -26.31 68.25 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.703 1.201 . . . . 72.41 111.986 -179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.503 ' HG3' HG21 ' A' ' 8' ' ' VAL . 35.7 tt0 -53.14 -26.82 18.2 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.562 1.145 . . . . 70.33 113.25 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -54.92 -31.34 60.08 Favored 'General case' 0 CA--C 1.56 1.332 0 CA-C-O 121.603 0.716 . . . . 74.25 111.894 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.4 HG12 HD11 ' A' ' 69' ' ' ILE . 67.7 t -62.39 -33.54 59.71 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.171 0 C-N-CA 125.16 1.384 . . . . 63.22 112.297 178.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' HA ' HD12 ' A' ' 69' ' ' ILE . 61.8 t -53.44 -38.39 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 123.37 0.668 . . . . 63.32 111.256 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -53.43 -41.82 66.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.328 1.051 . . . . 72.42 111.157 -177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -77.11 -37.63 53.83 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 124.314 1.045 . . . . 72.25 111.706 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.654 HD13 HG11 ' A' ' 40' ' ' VAL . 78.5 mt -62.2 -35.05 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 C-N-CA 124.511 1.124 . . . . 72.52 110.938 177.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.598 HG22 HG11 ' A' ' 80' ' ' VAL . 19.5 t -51.93 -45.86 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 125.26 1.424 . . . . 75.21 110.992 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -60.45 -42.6 96.49 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.888 -1.051 . . . . 62.44 110.847 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -69.84 -47.25 63.39 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 123.799 0.687 . . . . 74.31 111.31 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.29 73.46 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 116.01 -0.541 . . . . 60.42 111.041 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -70.95 -29.74 65.83 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.482 0.713 . . . . 74.32 112.182 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -64.48 -36.05 82.94 Favored 'General case' 0 N--CA 1.485 1.304 0 CA-C-O 120.877 0.37 . . . . 63.12 110.336 173.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HB2' ' HG ' ' A' ' 78' ' ' LEU . 7.4 mm-40 -79.93 -8.72 59.48 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.444 -0.798 . . . . 72.5 111.065 178.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.58 13.1 82.94 Favored Glycine 0 C--N 1.352 1.434 0 C-N-CA 122.898 0.285 . . . . 52.31 113.025 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 76' ' ' GLU . 53.4 mt -83.67 144.46 29.38 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 123.935 0.894 . . . . 70.33 110.043 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.694 ' HE ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER -75.47 132.76 41.02 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 107.267 -1.383 . . . . 65.1 107.267 173.1 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.598 HG11 HG22 ' A' ' 70' ' ' VAL . 19.5 t -103.85 127.7 57.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 107.111 -1.44 . . . . 55.41 107.111 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.798 HD11 ' HG3' ' A' ' 107' ' ' ARG . 41.7 tp -136.61 109.09 7.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.441 -0.948 . . . . 75.42 108.441 -171.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.645 ' HB ' HG12 ' A' ' 106' ' ' VAL . 22.0 t -98.56 112.23 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 108.419 -0.956 . . . . 74.11 108.419 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.744 HG21 ' HD3' ' A' ' 118' ' ' ARG . 1.4 mt -98.68 122.2 50.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 107.537 -1.283 . . . . 72.53 107.537 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.749 ' HE3' HD11 ' A' ' 92' ' ' LEU . 64.4 tttp -135.43 128.19 31.06 Favored 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 122.518 0.327 . . . . 72.42 111.224 -156.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 63.7 t -84.96 123.02 38.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 N-CA-C 107.59 -1.263 . . . . 41.43 107.59 171.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.35 136.45 17.46 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.485 0.714 . . . . 71.33 110.582 -166.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -128.03 -6.58 5.5 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.092 0.957 . . . . 73.32 110.124 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 3.6 m-20 -76.49 -60.15 2.46 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.151 0.98 . . . . 73.04 110.456 -169.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.493 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 39.5 mt-30 68.75 -64.99 0.3 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 126.25 1.82 . . . . 73.3 111.853 -173.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.88 -56.09 13.64 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.505 0.722 . . . . 72.21 112.016 -176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.7 tp -70.41 -27.27 64.15 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.483 0.713 . . . . 73.22 110.566 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.749 HD11 ' HE3' ' A' ' 84' ' ' LYS . 10.0 tp -56.43 -40.19 74.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.073 1.349 . . . . 54.21 110.721 -178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 12.8 mm-40 -55.37 -26.95 44.32 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.058 1.343 . . . . 70.43 114.067 -168.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 57.0 ttt180 -63.59 -52.41 61.07 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.65 0.659 . . . . 63.13 111.883 -171.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -79.68 -47.27 15.64 Favored 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.19 0.519 . . . . 75.1 110.257 175.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -52.68 -38.43 60.54 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.824 1.649 . . . . 75.12 112.977 -172.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.4 -32.99 49.03 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.246 0.618 . . . . 74.33 110.85 -173.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 23.0 mm-40 -56.91 -40.88 77.13 Favored 'General case' 0 N--CA 1.481 1.119 0 O-C-N 123.966 0.791 . . . . 72.14 111.173 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.1 mp -72.81 -41.96 64.36 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.721 -1.127 . . . . 72.13 110.22 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -69.65 -30.69 68.45 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.978 0.511 . . . . 72.3 111.368 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -67.29 -39.05 85.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.769 1.228 . . . . 75.43 109.935 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.88 -55.42 26.33 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.327 -1.306 . . . . 75.44 108.811 169.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.26 -15.79 0.87 Allowed Glycine 0 C--N 1.345 1.032 0 CA-C-N 115.051 -0.977 . . . . 62.24 113.116 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.1 t -55.4 120.93 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.605 1.162 . . . . 73.21 111.331 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -74.71 147.92 40.98 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.741 -0.837 . . . . 73.3 108.741 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.645 HG12 ' HB ' ' A' ' 82' ' ' VAL . 19.9 m -132.85 129.43 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 107.944 -1.132 . . . . 62.51 107.944 176.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.798 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.6 mtp180 -100.02 112.46 24.75 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.586 -0.524 . . . . 75.52 109.586 174.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.1 m -84.9 112.4 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.834 -1.172 . . . . 72.24 107.834 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -92.24 -29.42 16.43 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.11 -0.95 . . . . 72.14 110.108 -177.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.3 t70 70.12 -68.27 0.21 Allowed 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.364 1.466 . . . . 73.35 111.588 176.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -87.25 161.14 18.17 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.379 1.071 . . . . 54.23 112.765 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.17 -45.54 40.05 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.057 -1.429 . . . . 61.4 110.666 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 38.5 t70 -69.41 -29.69 67.47 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 114.549 -1.205 . . . . 74.42 110.708 -178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.96 -37.43 81.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.936 0.494 . . . . 75.45 110.337 173.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.27 -36.98 85.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.036 -0.984 . . . . 72.41 112.602 -173.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' HG21 ' A' ' 21' ' ' VAL . 15.3 ptmt -73.82 -33.61 64.24 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 112.031 0.382 . . . . 75.01 112.031 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 62.1 mttm -61.56 -54.07 47.96 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.413 0.625 . . . . 55.34 110.737 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.744 ' HD3' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -63.58 -27.7 69.42 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.036 -1.438 . . . . 61.25 112.102 -173.024 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.475 HD21 HG21 ' A' ' 7' ' ' VAL . 49.0 mt -61.92 -53.83 50.36 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.537 0.735 . . . . 64.02 111.411 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.96 -39.75 95.62 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.971 -1.013 . . . . 73.12 109.566 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.38 -38.74 81.28 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.701 1.2 . . . . 74.12 111.362 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 81.4 mt -62.88 -52.55 62.66 Favored 'General case' 0 C--O 1.207 -1.139 0 C-N-CA 123.302 0.641 . . . . 74.13 109.765 174.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.594 HD21 HG13 ' A' ' 22' ' ' VAL . 7.1 mp -62.27 -36.25 81.47 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 124.408 1.083 . . . . 74.12 112.346 -173.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -65.91 -31.83 72.98 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.206 0.602 . . . . 70.54 110.943 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -104.19 2.51 31.86 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 123.951 0.9 . . . . 62.04 110.8 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.1 t 60.79 13.25 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.578 2.029 0 C-N-CA 126.029 1.731 . . . . 62.42 112.819 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 137.27 131.91 3.0 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.698 0.666 . . . . 62.04 111.761 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.1 m -148.18 115.86 6.33 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.084 0.953 . . . . 70.01 109.559 -176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.694 HD13 ' HE ' ' A' ' 79' ' ' ARG . 0.4 OUTLIER -97.7 98.02 9.51 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 109.163 -0.68 . . . . 71.1 109.163 179.204 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 135.28 10.46 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 109.673 -0.491 . . . . 75.23 109.673 -177.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 107' ' ' ARG . 22.2 p80 -152.32 45.95 0.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.01 0.524 . . . . 74.05 112.124 -171.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -60.74 93.74 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 121.64 0.733 . . . . 62.02 110.779 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -149.29 5.12 0.63 Allowed 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 124.565 1.146 . . . . 75.42 109.791 -177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 80.8 t60 68.99 148.76 0.07 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.638 1.575 . . . . 71.13 111.529 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -143.9 -66.07 0.36 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 108.399 -0.963 . . . . 71.21 108.399 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 . . . . . 0 C--O 1.252 1.212 0 N-CA-C 107.615 -1.254 . . . . 61.41 107.615 175.209 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.4 ptt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.002 0.429 . . . . 71.22 110.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.633 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -114.54 76.01 0.25 Allowed Glycine 0 C--N 1.342 0.897 0 N-CA-C 111.567 -0.613 . . . . 64.43 111.567 178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -108.86 120.26 41.98 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.724 0.809 . . . . 73.54 109.722 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.0 t -108.18 114.78 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 N-CA-C 107.576 -1.268 . . . . 73.23 107.576 -178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.548 HG12 HD23 ' A' ' 81' ' ' LEU . 27.0 m -117.98 113.14 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 CA-C-O 121.667 0.746 . . . . 52.42 109.094 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.92 107.54 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 N-CA-C 108.476 -0.935 . . . . 65.32 108.476 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG22 HD21 ' A' ' 119' ' ' LEU . 89.5 t -85.58 111.18 20.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 N-CA-C 108.655 -0.869 . . . . 75.33 108.655 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 57.4 t -115.95 144.92 22.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.792 0 CA-C-N 114.136 -1.393 . . . . 75.54 108.634 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -155.81 167.05 31.63 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.378 -0.828 . . . . 35.13 109.107 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.473 ' ND2' HE22 ' A' ' 89' ' ' GLN . 83.6 m-20 -91.95 21.91 4.63 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.972 0.509 . . . . 63.44 110.873 -177.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -157.07 162.74 39.48 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 123.913 0.885 . . . . 70.12 110.377 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HB2' HH21 ' A' ' 13' ' ' ARG . 40.4 mt-10 -82.23 -47.37 12.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.213 1.005 . . . . 71.1 110.981 -178.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.491 HH21 ' HB2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -63.31 -27.53 69.39 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 123.54 0.736 . . . . 75.43 112.626 -175.063 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.09 -36.38 67.29 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.635 0.584 . . . . 51.01 109.739 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -67.54 -46.09 73.79 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.653 0.781 . . . . 43.34 111.726 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.71 -43.51 96.37 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 122.868 0.467 . . . . 73.32 110.822 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.77 -48.93 79.59 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.869 0.868 . . . . 53.15 111.334 178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.27 -25.83 60.85 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 114.648 -1.16 . . . . 73.22 111.563 -177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.08 -41.1 82.74 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.401 0.68 . . . . 65.21 110.745 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -68.01 -32.3 72.58 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-N 114.877 -1.056 . . . . 65.45 111.25 -178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HG3' ' A' ' 116' ' ' LYS . 53.2 t -65.9 -33.16 61.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 123.871 0.732 . . . . 73.23 110.099 176.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 HD21 ' A' ' 123' ' ' LEU . 62.1 t -76.92 -47.72 27.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 CA-C-N 115.826 -0.624 . . . . 71.14 110.517 178.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.75 -39.03 90.66 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.68 0.792 . . . . 60.22 112.651 -176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -66.27 -33.29 75.41 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 122.972 0.509 . . . . 60.24 110.957 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.1 t -77.25 -53.24 7.96 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.235 -0.893 . . . . 45.2 108.878 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -147.13 110.66 4.03 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.928 0.891 . . . . 64.43 111.054 -173.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -82.16 -11.0 11.13 Favored 'Trans proline' 0 C--N 1.375 1.964 0 C-N-CA 122.603 2.202 . . . . 74.21 112.407 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -71.62 -25.85 62.33 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.377 0.671 . . . . 64.34 110.901 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.8 139.14 21.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.523 0.729 . . . . 71.44 110.033 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -54.77 -46.89 74.45 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.659 1.184 . . . . 55.54 111.955 -171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.9 p 47.34 88.02 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 125.442 1.497 . . . . 72.25 113.208 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HG3' ' A' ' 43' ' ' GLU . 90.4 t -117.45 115.94 50.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 124.019 0.927 . . . . 72.44 110.154 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -97.09 93.58 6.66 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 107.683 -1.228 . . . . 74.32 107.683 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.8 m -155.15 136.27 13.88 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.642 0.777 . . . . 73.4 109.666 -174.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -108.37 -14.21 14.72 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.225 1.01 . . . . 73.03 111.291 176.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.8 m-20 -60.69 102.34 0.18 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.685 0.794 . . . . 75.41 109.426 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.61 ' HE2' HG13 ' A' ' 65' ' ' VAL . 14.0 ptpt -53.32 -41.95 66.2 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.835 0.854 . . . . 65.51 112.652 -172.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.4 -43.92 96.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.691 0.796 . . . . 54.1 110.974 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 89.0 tttt -69.23 -44.65 71.6 Favored 'General case' 0 C--N 1.352 0.675 0 O-C-N 123.324 0.39 . . . . 64.33 110.351 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 36' ' ' ASP . 99.0 t -56.36 -34.65 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.633 0.773 . . . . 73.41 110.829 -178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 98.9 mttt -69.1 -38.08 78.74 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.308 0.643 . . . . 73.23 111.607 176.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.64 -38.92 92.66 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.31 0.644 . . . . 75.45 109.986 173.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.655 ' HG3' HG11 ' A' ' 32' ' ' VAL . 16.1 mm-40 -68.55 -37.54 80.02 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.326 0.65 . . . . 72.4 110.278 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 ' HB2' ' A' ' 73' ' ' ALA . 49.9 mt -65.09 -43.61 95.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 123.881 0.872 . . . . 73.12 109.501 175.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -58.64 -51.38 70.17 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 124.137 0.898 . . . . 62.31 109.304 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 51.7 mtmt -68.41 -31.56 70.98 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.584 -0.735 . . . . 63.41 111.129 -178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -52.19 57.95 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 122.95 0.5 . . . . 70.5 110.901 177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.0 -27.55 64.78 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.053 0.541 . . . . 51.35 110.775 179.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -64.06 -43.17 96.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.45 0.7 . . . . 65.42 109.991 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.9 mm-40 -76.64 -24.88 53.3 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.399 -0.819 . . . . 73.34 110.684 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.33 50.9 14.61 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.329 -0.85 . . . . 61.21 111.623 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -132.06 152.46 80.25 Favored Pre-proline 0 N--CA 1.475 0.79 0 C-N-CA 124.522 1.129 . . . . 65.41 109.776 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 153.16 78.31 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.72 2.28 . . . . 72.0 111.849 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.1 tt -131.94 130.2 61.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.426 0.69 . . . . 74.55 109.51 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.514 HG21 HG11 ' A' ' 22' ' ' VAL . 8.5 t -113.4 111.32 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.49 -0.559 . . . . 65.21 109.49 -175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.445 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.6 mm -93.52 111.12 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 123.355 0.409 . . . . 71.42 110.129 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -95.24 111.53 23.37 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.308 0.643 . . . . 73.12 110.226 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 12.7 pt -146.48 160.93 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.359 1.064 . . . . 72.04 109.941 178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -93.71 165.43 12.71 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 108.952 -0.758 . . . . 70.21 108.952 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.74 -28.58 52.58 Favored Glycine 0 N--CA 1.482 1.747 0 N-CA-C 115.313 0.885 . . . . 52.52 115.313 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.26 -48.14 62.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.444 0.698 . . . . 72.53 110.821 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.479 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 71.3 m-85 -69.1 -26.88 65.14 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.295 1.038 . . . . 74.24 111.647 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.11 -29.34 57.47 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.386 0.674 . . . . 71.1 111.998 177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -53.85 -35.89 62.0 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 123.246 0.619 . . . . 74.25 111.524 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.61 HG13 ' HE2' ' A' ' 37' ' ' LYS . 42.7 t -68.97 -28.03 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.289 0 C-N-CA 124.73 1.212 . . . . 63.34 111.875 -177.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' O ' HG23 ' A' ' 70' ' ' VAL . 97.4 t -53.75 -32.54 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 C-N-CA 123.581 0.753 . . . . 74.44 111.961 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.44 -34.77 59.15 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.86 0.864 . . . . 73.52 112.113 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.89 -41.77 59.12 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.791 0.836 . . . . 64.01 111.088 174.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 66' ' ' VAL . 42.6 mt -68.09 -28.97 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 C-N-CA 124.653 1.181 . . . . 63.12 111.375 -177.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 66' ' ' VAL . 16.7 t -51.43 -45.45 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.947 1.299 . . . . 75.02 111.334 -177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 35.3 tt0 -54.45 -49.77 69.24 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.211 0.944 . . . . 75.25 111.642 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.5 -52.41 65.74 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 124.127 0.892 . . . . 73.34 111.425 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -63.33 -33.83 76.38 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 123.647 0.592 . . . . 75.32 111.736 -177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -75.01 -30.86 61.25 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.011 0.524 . . . . 71.41 111.706 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 34.7 mmtp -68.48 -32.02 71.71 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 109.569 -0.53 . . . . 63.15 109.569 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -76.96 -15.3 59.7 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.947 0.899 . . . . 64.33 111.582 174.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.54 13.82 82.07 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 116.167 -0.47 . . . . 31.1 113.356 177.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD22 ' HA3' ' A' ' 2' ' ' GLY . 26.4 mt -79.24 155.78 28.41 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.412 0.685 . . . . 60.04 111.252 -174.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 121.01 17.02 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 107.753 -1.203 . . . . 74.22 107.753 175.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 104' ' ' VAL . 3.2 m -104.59 118.36 51.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 108.742 -0.836 . . . . 53.42 108.742 177.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD23 HG12 ' A' ' 5' ' ' VAL . 21.0 tp -137.22 107.76 6.53 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.145 0.978 . . . . 53.44 108.576 -172.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.0 t -102.28 114.47 41.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 118.357 0.526 . . . . 72.03 109.67 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.5 mt -98.28 111.23 27.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 N-CA-C 107.699 -1.222 . . . . 75.34 107.699 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.512 ' HE3' ' HB2' ' A' ' 96' ' ' TYR . 4.8 ttmm -128.73 132.41 47.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 122.99 0.516 . . . . 73.11 110.148 -167.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.92 103.29 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 109.069 -0.715 . . . . 64.01 109.069 174.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.74 137.46 32.79 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.012 0.925 . . . . 64.24 109.906 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.511 ' HB2' HE21 ' A' ' 89' ' ' GLN . 97.0 mt-30 -144.15 75.67 1.47 Allowed 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.181 0.592 . . . . 55.31 109.974 -176.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 65.05 -73.23 0.06 Allowed 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 125.624 1.57 . . . . 73.2 111.983 -176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.511 HE21 ' HB2' ' A' ' 87' ' ' GLN . 43.0 mt-30 4.52 90.2 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 127.269 2.227 . . . . 75.51 114.935 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 45.8 mt-10 -60.41 -31.71 70.64 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.713 -0.676 . . . . 73.13 111.142 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.35 -48.31 79.33 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.354 1.061 . . . . 74.41 110.521 174.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.99 -43.14 95.35 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.456 1.103 . . . . 72.42 110.252 174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.84 -26.47 68.35 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.585 1.154 . . . . 73.45 112.252 -176.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 45.0 mmt-85 -67.77 -53.07 30.12 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.87 -0.418 . . . . 73.13 109.87 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -62.79 -36.13 82.14 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.552 -0.749 . . . . 74.01 110.719 -178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' HB2' ' HE3' ' A' ' 84' ' ' LYS . 12.0 t80 -52.13 -39.74 60.34 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 114.571 -1.195 . . . . 65.43 111.464 175.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.4 ' HG2' ' HE2' ' A' ' 101' ' ' LYS . 34.7 tt0 -74.23 -36.77 63.93 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.577 0.751 . . . . 74.01 111.315 -174.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.59 -37.65 87.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.992 0.517 . . . . 61.34 111.432 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.14 -40.64 81.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.981 0.8 . . . . 75.14 110.704 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -71.17 -33.8 70.35 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 115.516 -0.765 . . . . 72.14 110.936 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HE2' ' HG2' ' A' ' 97' ' ' GLU . 67.6 mttm -70.55 -33.5 71.21 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.158 0.583 . . . . 63.53 111.03 176.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -69.12 -17.98 63.91 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.298 0.639 . . . . 74.33 111.399 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 84.67 21.14 56.87 Favored Glycine 0 C--N 1.344 1.025 0 N-CA-C 111.652 -0.579 . . . . 74.45 111.652 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HA ' HG23 ' A' ' 80' ' ' VAL . 93.0 t -83.92 131.88 32.83 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 C-N-CA 123.887 0.875 . . . . 64.32 109.139 172.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -82.73 91.29 6.99 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 123.528 0.518 . . . . 51.53 109.711 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 p -91.01 115.63 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.673 0.749 . . . . 73.01 109.003 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -98.21 109.18 21.98 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.36 -0.978 . . . . 73.4 108.36 177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.5 m -83.0 126.33 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 N-CA-C 108.054 -1.091 . . . . 75.24 108.054 173.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 63.8 p -81.5 -40.5 23.12 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 108.925 -0.769 . . . . 74.22 108.925 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 11.5 t70 64.64 -64.06 0.16 Allowed 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.028 1.731 . . . . 74.32 109.734 -173.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -62.7 124.53 21.25 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 123.993 0.917 . . . . 75.24 109.27 164.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -38.4 71.01 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.45 1.1 . . . . 72.21 112.108 -175.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -74.4 -30.05 61.79 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.709 0.804 . . . . 74.1 111.027 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -62.4 -30.45 71.22 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.426 0.69 . . . . 62.01 111.296 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.417 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.65 -45.02 81.86 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.273 0.629 . . . . 63.44 111.375 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.522 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.3 ttmt -55.45 -48.26 74.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.84 1.256 . . . . 73.51 111.469 174.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -63.03 -47.16 84.26 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.873 -1.058 . . . . 72.11 110.435 -175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.533 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 12.8 mtm180 -70.04 -26.4 64.02 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.373 -0.83 . . . . 71.4 111.242 -176.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.445 HD21 HG22 ' A' ' 7' ' ' VAL . 48.9 mt -59.83 -54.74 42.67 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-N 118.221 0.464 . . . . 73.35 110.794 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.76 -40.24 87.53 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.82 0.7 . . . . 65.23 110.17 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -52.74 -53.51 46.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.481 1.112 . . . . 75.24 111.083 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 70.4 mt -65.73 -42.87 90.51 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.764 -0.653 . . . . 63.12 111.046 -176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.618 HD21 HG13 ' A' ' 22' ' ' VAL . 8.1 mp -58.3 -45.42 88.01 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 123.728 0.811 . . . . 73.11 112.281 -178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.9 -30.12 70.66 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.741 0.816 . . . . 73.21 111.495 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 125' ' ' LYS . 0.7 OUTLIER -83.87 -74.26 0.38 Allowed 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 108.793 -0.818 . . . . 53.2 108.793 172.201 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -179.06 -40.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.666 1.586 . . . . 71.22 108.445 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 168.22 45.49 0.03 OUTLIER Glycine 0 C--N 1.343 0.938 0 N-CA-C 109.591 -1.404 . . . . 71.54 109.591 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.0 p -155.94 157.39 36.19 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.074 0.95 . . . . 63.42 110.312 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.568 HD23 ' H ' ' A' ' 129' ' ' LEU . 2.1 pt? -119.31 147.67 44.03 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.224 1.01 . . . . 70.21 109.243 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -111.08 -76.73 0.6 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.698 0.799 . . . . 74.44 111.204 -172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -109.1 24.95 12.39 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.721 1.208 . . . . 71.1 111.64 -166.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.45 ' HB3' HD12 ' A' ' 129' ' ' LEU . 73.2 t60 -68.79 100.51 1.18 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 109.241 -0.652 . . . . 73.42 109.241 171.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -73.51 143.67 46.46 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.795 0.838 . . . . 74.15 110.437 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -163.45 120.02 1.77 Allowed 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.792 0.683 . . . . 72.25 109.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.98 147.54 26.17 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.544 -0.539 . . . . 73.55 109.544 176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 20.4 p80 . . . . . 0 CA--C 1.557 1.24 0 C-N-CA 122.816 0.447 . . . . 73.44 110.547 175.819 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 109.292 -0.633 . . . . 63.21 109.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -107.8 40.96 2.34 Favored Glycine 0 C--N 1.344 0.979 0 N-CA-C 111.838 -0.505 . . . . 63.01 111.838 176.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -70.55 105.44 3.11 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.503 0.721 . . . . 52.31 110.319 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.422 HG13 HG23 ' A' ' 54' ' ' ILE . 44.5 t -108.05 113.77 44.71 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 106.255 -1.757 . . . . 74.32 106.255 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 15.8 m -112.78 110.71 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.881 -0.785 . . . . 61.01 108.881 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.476 HG21 HG22 ' A' ' 66' ' ' VAL . 4.0 mp -99.38 107.36 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 108.881 -0.785 . . . . 54.11 108.881 -173.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 48.9 t -86.11 107.47 16.56 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 N-CA-C 109.123 -0.695 . . . . 53.43 109.123 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 99.4 t -108.42 145.7 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 115.624 -0.717 . . . . 61.21 109.605 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.8 m -145.74 163.82 33.75 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.565 1.146 . . . . 72.42 107.947 173.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -91.34 -15.32 29.23 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 109.906 -0.405 . . . . 71.22 109.906 170.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -102.11 149.9 23.8 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.275 1.03 . . . . 72.4 109.806 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -80.4 -48.94 12.15 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 124.403 1.081 . . . . 71.45 110.494 -175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.4 mtm-85 -68.23 -27.51 66.43 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.842 1.257 . . . . 70.11 112.324 -175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 112' ' ' GLU . 37.5 mm -66.53 -40.24 85.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 109.984 -0.376 . . . . 52.3 109.984 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.39 -38.59 90.22 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 117.586 0.175 . . . . 51.4 111.082 174.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -69.27 -47.13 65.5 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 71.11 111.188 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 35.3 tt0 -71.45 -30.35 65.93 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.692 0.797 . . . . 73.44 111.107 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mp -78.03 -27.82 48.91 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.092 0.557 . . . . 62.13 111.681 174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.73 ' HB2' HH12 ' A' ' 33' ' ' ARG . 21.2 tp -59.74 -51.61 69.03 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.867 -0.42 . . . . 73.32 109.867 178.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.88 -30.81 71.12 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 124.633 1.208 . . . . 74.32 111.691 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG21 ' HG3' ' A' ' 116' ' ' LYS . 91.2 t -61.24 -52.79 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 123.475 0.484 . . . . 64.44 110.397 177.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.526 HG11 HG21 ' A' ' 55' ' ' VAL . 92.7 t -64.45 -46.58 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-N 115.684 -0.689 . . . . 74.33 110.608 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.7 tp -65.46 -38.61 90.33 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.17 -1.377 . . . . 74.24 111.751 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -80.98 -32.0 34.53 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.897 0.479 . . . . 62.53 110.82 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.1 m -68.65 -32.53 72.45 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.02 0.528 . . . . 75.31 110.757 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -162.47 117.67 1.21 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 109.192 -0.67 . . . . 61.42 109.192 170.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -77.19 -16.06 15.8 Favored 'Trans proline' 0 C--N 1.371 1.746 0 C-N-CA 122.932 2.421 . . . . 64.04 113.327 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -87.23 -16.68 34.57 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 123.643 0.777 . . . . 64.23 111.208 -172.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.2 t -66.32 137.71 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.43 0.692 . . . . 72.33 109.456 171.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -73.3 83.41 1.39 Allowed 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 124.16 0.984 . . . . 72.2 111.108 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.8 p -82.38 108.58 15.92 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.806 0.843 . . . . 75.52 109.379 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.6 t -126.22 113.53 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.276 0.631 . . . . 72.21 109.957 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.73 HH12 ' HB2' ' A' ' 19' ' ' LEU . 22.4 ttp180 -107.29 100.79 10.22 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 107.248 -1.389 . . . . 62.42 107.248 165.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.4 m -146.84 124.29 11.67 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 115.865 -0.607 . . . . 61.34 109.898 -171.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -81.76 -17.61 47.08 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.14 0.976 . . . . 70.33 111.179 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.45 99.69 0.32 Allowed 'General case' 0 C--N 1.354 0.794 0 N-CA-C 107.724 -1.213 . . . . 71.03 107.724 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.541 ' HE3' HG13 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -66.51 -41.27 89.1 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.247 -1.342 . . . . 52.4 111.924 -160.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.16 -27.8 57.12 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.204 1.002 . . . . 73.01 111.111 176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.6 -31.8 67.32 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 122.543 0.337 . . . . 74.3 111.245 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 69' ' ' ILE . 94.3 t -53.4 -36.83 27.88 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.132 0 CA-C-O 121.172 0.51 . . . . 75.31 110.657 172.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 95.3 mttt -71.42 -36.82 71.43 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.894 0.878 . . . . 63.11 111.398 177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 49.8 mt-10 -67.03 -36.22 81.61 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.912 -0.586 . . . . 73.14 110.017 176.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -75.33 -30.91 60.44 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.635 0.774 . . . . 74.35 110.792 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mt -56.28 -48.21 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.856 0.863 . . . . 73.13 109.713 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG2' HH21 ' A' ' 48' ' ' ARG . 1.4 tm-20 -55.03 -46.68 75.28 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 124.77 1.294 . . . . 74.24 109.393 -178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 24.1 mmtp -61.26 -52.31 65.27 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.126 0.891 . . . . 53.45 110.182 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.82 -53.93 51.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.291 -0.868 . . . . 53.15 112.229 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.493 HH21 ' HG2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -62.3 -32.69 73.46 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.071 0.548 . . . . 75.31 111.536 -178.007 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -79.1 -29.67 43.42 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.411 0.684 . . . . 73.53 110.701 -177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' HB3' HH11 ' A' ' 52' ' ' ARG . 79.0 mm-40 -91.49 6.74 44.37 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.19 0.596 . . . . 63.54 110.762 176.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.67 37.95 94.05 Favored Glycine 0 C--N 1.36 1.891 0 O-C-N 123.369 0.418 . . . . 52.41 113.554 176.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.473 HH11 ' HB3' ' A' ' 50' ' ' GLN . 75.4 mtt85 -125.11 141.09 37.55 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.284 1.033 . . . . 64.04 110.514 -171.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -69.77 146.25 59.59 Favored 'Trans proline' 0 C--N 1.372 1.8 0 C-N-CA 122.352 2.035 . . . . 71.25 110.487 167.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 4' ' ' VAL . 13.7 tt -121.84 130.82 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 122.943 0.497 . . . . 64.41 110.267 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.526 HG21 HG11 ' A' ' 22' ' ' VAL . 6.8 t -116.32 108.94 26.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 123.883 0.873 . . . . 71.55 109.326 -175.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -98.28 111.68 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.191 0.596 . . . . 62.44 110.663 -174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB2' ' HB2' ' A' ' 33' ' ' ARG . 72.2 m-85 -93.71 111.07 22.69 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 109.352 -0.61 . . . . 55.23 109.352 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.573 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 9.0 pt -139.73 164.59 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 123.883 0.873 . . . . 53.11 110.083 177.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 39.6 ttp-105 -139.08 126.75 21.93 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 118.582 -0.723 . . . . 72.51 111.464 -166.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 51.2 -79.79 0.01 OUTLIER Glycine 0 N--CA 1.481 1.674 0 O-C-N 124.994 1.433 . . . . 72.53 116.234 164.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.01 -36.32 66.98 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.982 0.913 . . . . 72.22 111.126 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 8.5 m-85 -77.16 -27.91 53.95 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.565 1.146 . . . . 62.03 111.129 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -36.99 43.89 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 125.314 1.446 . . . . 71.1 112.985 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -64.78 -27.6 69.0 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG13 ' HE3' ' A' ' 37' ' ' LYS . 46.5 t -57.93 -29.61 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.313 0 C-N-CA 123.237 0.615 . . . . 64.33 112.368 178.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 69' ' ' ILE . 65.2 t -50.9 -44.69 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 C-N-CA 123.234 0.614 . . . . 60.12 111.801 -171.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -69.53 -29.81 67.49 Favored 'General case' 0 CA--C 1.553 1.096 0 CA-C-O 120.939 0.399 . . . . 75.33 111.873 -174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.94 -33.06 63.79 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.587 0.755 . . . . 63.21 110.487 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 66' ' ' VAL . 74.4 mt -67.68 -37.17 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 124.147 0.979 . . . . 64.31 110.138 174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.819 HG22 HG11 ' A' ' 80' ' ' VAL . 54.4 t -53.46 -48.41 57.73 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 124.42 1.088 . . . . 74.21 111.533 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.5 tt0 -54.37 -51.23 65.45 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 124.375 1.047 . . . . 74.22 110.754 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.36 -44.15 95.85 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.981 0.913 . . . . 71.5 110.922 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 -35.61 81.5 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.684 -0.689 . . . . 53.51 111.427 -178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -71.2 -30.84 66.88 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 122.965 0.506 . . . . 73.22 110.668 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.5 mmtt -70.31 -29.61 66.38 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.072 0.463 . . . . 72.42 110.092 174.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -86.03 -6.36 59.05 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.147 0.979 . . . . 61.21 111.679 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.3 46.04 58.59 Favored Glycine 0 C--N 1.351 1.365 0 C-N-CA 122.956 0.312 . . . . 71.44 112.777 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD22 ' HA3' ' A' ' 2' ' ' GLY . 79.4 mt -100.44 -161.6 0.88 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.791 0.836 . . . . 54.23 111.378 -173.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.479 HH12 HD13 ' A' ' 81' ' ' LEU . 2.1 tmt_? -137.44 113.32 9.71 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 106.153 -1.795 . . . . 74.13 106.153 -176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.819 HG11 HG22 ' A' ' 70' ' ' VAL . 17.0 t -106.2 124.37 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.437 -0.579 . . . . 64.25 109.437 -171.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 57.1 tp -137.7 110.25 7.51 Favored 'General case' 0 C--O 1.221 -0.41 0 N-CA-C 108.323 -0.991 . . . . 74.11 108.323 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.5 p -96.51 113.77 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.395 -0.594 . . . . 45.13 109.395 177.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 48.5 mt -98.79 105.29 17.13 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 N-CA-C 107.767 -1.198 . . . . 73.4 107.767 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.566 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 59.4 pttt -137.69 142.29 41.09 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.231 0.539 . . . . 75.22 111.897 -172.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.54 115.62 27.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 115.162 -0.926 . . . . 72.44 109.095 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.496 ' HA ' HD13 ' A' ' 92' ' ' LEU . . . -73.59 88.79 1.69 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.235 0.614 . . . . 73.1 110.616 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.41 -57.73 3.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.227 -0.897 . . . . 74.34 111.191 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 91' ' ' LEU . 9.8 m-20 -66.81 -27.82 67.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.173 0.589 . . . . 64.21 110.999 -177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.511 ' O ' ' HG2' ' A' ' 93' ' ' GLU . 43.8 mt-30 61.2 -89.51 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.613 1.165 . . . . 74.31 108.816 -165.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -56.98 -49.72 74.85 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.199 1.0 . . . . 61.25 112.793 -171.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.5 ' HB3' ' HB3' ' A' ' 88' ' ' ASP . 67.8 tp -67.15 -37.65 84.14 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.837 0.455 . . . . 65.31 110.794 178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 86' ' ' ALA . 7.5 tt -73.45 -25.85 60.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 122.817 0.447 . . . . 62.12 110.434 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' GLN . 43.7 mm-40 -61.12 -26.74 67.88 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.065 0.946 . . . . 72.11 111.962 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.6 tpt180 -59.76 -52.67 64.46 Favored 'General case' 0 CA--C 1.548 0.88 0 O-C-N 123.734 0.646 . . . . 62.24 110.979 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -80.43 -33.78 36.61 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.512 -0.313 . . . . 73.51 110.948 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.486 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 34.8 t80 -56.68 -52.51 64.64 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.152 0.981 . . . . 75.51 111.573 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.527 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 46.1 tt0 -69.74 -33.31 72.28 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.134 0.896 . . . . 73.05 111.454 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -54.76 -49.8 70.0 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 124.228 0.955 . . . . 74.31 110.957 -174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.595 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 9.9 mp -64.33 -34.13 77.44 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 122.96 0.504 . . . . 74.12 111.451 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.56 ' HD3' HG21 ' A' ' 106' ' ' VAL . 9.2 mtmp? -68.78 -32.44 72.17 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 122.618 0.367 . . . . 62.02 110.45 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -72.26 -36.02 68.93 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.541 0.736 . . . . 62.3 111.241 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -74.31 -22.91 59.04 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.156 0.582 . . . . 73.32 111.346 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.07 62.78 0.81 Allowed Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.535 -0.626 . . . . 51.41 111.535 179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 62.8 t -132.86 138.09 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 124.274 1.03 . . . . 71.11 108.364 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.417 ' HB3' HH12 ' A' ' 79' ' ' ARG . 15.1 t0 -82.8 141.36 32.38 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.31 -0.996 . . . . 54.31 108.31 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG21 ' HD3' ' A' ' 100' ' ' LYS . 33.0 m -134.44 143.44 37.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 109.241 -0.651 . . . . 63.53 109.241 -170.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.46 105.6 9.18 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.477 -1.305 . . . . 73.02 107.477 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.37 134.52 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 109.46 -0.571 . . . . 63.54 109.46 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.599 HG21 ' HA ' ' A' ' 115' ' ' ALA . 82.6 p -108.43 -28.94 9.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.033 -0.985 . . . . 72.31 109.308 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.3 p30 49.93 16.82 0.25 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 126.514 1.925 . . . . 73.13 113.498 -175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.576 ' HB2' ' HB2' ' A' ' 114' ' ' GLU . 17.0 m120 -144.51 147.95 33.89 Favored 'General case' 0 C--O 1.243 0.738 0 C-N-CA 125.655 1.582 . . . . 73.41 107.575 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' HB3' HD12 ' A' ' 14' ' ' ILE . 3.4 mp0 -76.02 -47.95 22.86 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.483 -0.78 . . . . 73.1 109.9 -171.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -74.31 -31.22 62.39 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 114.65 -1.159 . . . . 63.01 111.612 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.576 ' HB2' ' HB2' ' A' ' 111' ' ' ASN . 59.1 mm-40 -67.37 -31.15 71.19 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 119.348 -0.358 . . . . 62.12 111.029 172.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -70.52 -49.64 46.06 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 123.324 0.39 . . . . 70.24 110.239 176.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.513 ' HG3' HG21 ' A' ' 21' ' ' VAL . 31.2 ttmt -51.45 -53.78 33.61 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.234 1.413 . . . . 73.23 111.784 175.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -41.73 92.32 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.221 1.408 . . . . 75.41 111.266 -177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -75.92 -27.48 57.65 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.85 0.46 . . . . 72.03 111.16 -175.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 40.7 mt -64.37 -48.68 74.56 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 109.942 -0.392 . . . . 74.32 109.942 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.79 -42.17 92.81 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.284 -0.871 . . . . 75.23 110.755 177.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -64.85 -49.8 69.15 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.972 0.909 . . . . 64.43 110.105 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.76 -25.59 63.89 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.026 0.93 . . . . 61.33 112.019 -177.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.14 -40.27 84.98 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 118.303 0.501 . . . . 70.03 111.105 177.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.36 -24.36 64.79 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.529 0.732 . . . . 74.22 111.194 174.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.453 ' HD3' ' HB3' ' A' ' 130' ' ' GLU . 40.9 ttmt -105.69 9.54 33.1 Favored 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.163 1.385 . . . . 73.02 111.256 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.8 m 50.94 20.77 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.444 0 C-N-CA 126.149 1.779 . . . . 74.2 113.947 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 95.97 -116.73 5.49 Favored Glycine 0 C--N 1.337 0.593 0 N-CA-C 110.174 -1.171 . . . . 64.02 110.174 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 32.8 t 62.28 -176.91 0.13 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.659 1.184 . . . . 53.32 111.955 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.3 pp -106.2 140.38 39.25 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 108.325 -0.991 . . . . 64.25 108.325 169.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.453 ' HB3' ' HD3' ' A' ' 125' ' ' LYS . 4.1 tm-20 -175.97 149.08 0.88 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.286 -0.635 . . . . 73.52 109.286 -178.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 67.8 t60 78.63 -58.86 0.43 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.901 1.68 . . . . 73.15 111.884 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 50.2 -175.09 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 125.867 1.667 . . . . 75.23 112.469 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -143.59 -83.25 0.16 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 108.574 -0.899 . . . . 61.11 108.574 168.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -147.45 161.44 41.04 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 108.609 -0.886 . . . . 65.12 108.609 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -156.53 139.51 15.36 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.893 -1.151 . . . . 64.21 107.893 166.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 . . . . . 0 CA--C 1.554 1.103 0 N-CA-C 108.92 -0.77 . . . . 73.21 108.92 174.438 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.72 0.295 . . . . 63.3 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.19 54.24 2.91 Favored Glycine 0 C--N 1.348 1.212 0 N-CA-C 111.178 -0.769 . . . . 53.12 111.178 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.0 m -111.18 135.51 51.61 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.642 0.777 . . . . 74.42 111.116 -176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.44 115.15 37.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 N-CA-C 106.877 -1.527 . . . . 75.22 106.877 169.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.555 HG11 HD13 ' A' ' 122' ' ' LEU . 10.8 m -107.02 137.29 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.104 -0.702 . . . . 74.14 109.104 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.18 112.93 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 N-CA-C 108.896 -0.779 . . . . 72.43 108.896 -173.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 HD21 ' A' ' 119' ' ' LEU . 21.9 t -87.87 120.8 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 108.873 -0.788 . . . . 73.23 108.873 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 63' ' ' GLU . 5.9 t -123.55 148.06 27.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 N-CA-C 108.602 -0.888 . . . . 74.44 108.602 175.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 165.62 35.83 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.87 0.868 . . . . 73.44 108.861 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -88.57 -3.76 58.73 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.008 0.523 . . . . 75.44 111.212 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -131.45 150.31 52.2 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.077 0.951 . . . . 52.33 110.807 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.92 -39.91 49.09 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.84 0.856 . . . . 75.11 111.881 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -68.48 -27.01 65.77 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 122.58 0.352 . . . . 72.31 111.433 -174.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 51.3 mm -65.88 -44.67 92.61 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.782 0 N-CA-C 109.085 -0.709 . . . . 61.2 109.085 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.59 -35.25 80.38 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 122.773 0.429 . . . . 64.31 111.551 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 44.9 mt-10 -73.03 -47.78 41.97 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.39 0.676 . . . . 73.44 111.071 -177.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 21' ' ' VAL . 45.3 tt0 -66.43 -45.92 78.23 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.711 0.804 . . . . 41.1 110.505 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.5 mp -68.18 -28.14 67.01 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.739 0.816 . . . . 74.15 110.892 178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' O ' HD13 ' A' ' 23' ' ' LEU . 9.9 tp -56.95 -53.98 51.89 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 109.5 -0.556 . . . . 74.31 109.5 172.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.1 mt-10 -61.61 -31.91 72.01 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.157 -1.383 . . . . 72.21 111.222 -176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.651 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 95.4 t -66.1 -44.8 91.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 123.57 0.748 . . . . 74.45 110.895 176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.686 HG11 HG21 ' A' ' 55' ' ' VAL . 97.0 t -65.8 -40.96 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 123.204 0.601 . . . . 74.4 110.746 177.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' O ' ' A' ' 19' ' ' LEU . 8.2 mp -61.24 -44.58 97.02 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.811 0.844 . . . . 72.33 111.593 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 59.5 pttt -80.81 -17.67 50.06 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.819 0.448 . . . . 72.23 111.357 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.436 ' HB3' HD22 ' A' ' 123' ' ' LEU . 42.5 t -72.31 -45.08 61.53 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.18 0.592 . . . . 54.32 109.894 173.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' HB3' HD23 ' A' ' 123' ' ' LEU . 12.4 t70 -165.49 115.86 0.84 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 123.877 0.871 . . . . 72.23 108.704 176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -78.9 -11.17 15.24 Favored 'Trans proline' 0 C--N 1.373 1.838 0 C-N-CA 122.757 2.305 . . . . 72.22 114.86 -176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -80.76 -35.51 33.19 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 109.482 -0.562 . . . . 71.01 109.482 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.418 HG12 HG23 ' A' ' 55' ' ' VAL . 98.9 t -60.59 99.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.835 0 C-N-CA 123.278 0.631 . . . . 75.1 109.377 173.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -71.37 109.73 5.55 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 115.49 -0.777 . . . . 75.2 111.615 -173.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.453 HG22 ' HB ' ' A' ' 55' ' ' VAL . 77.6 p -84.39 128.79 34.79 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.617 -1.174 . . . . 71.12 108.809 170.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG11 ' HG3' ' A' ' 43' ' ' GLU . 27.2 t -130.12 112.37 23.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.651 -0.87 . . . . 61.13 108.651 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -92.68 103.15 15.55 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.124 -1.065 . . . . 74.32 108.124 172.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.4 t -157.15 138.86 14.13 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.002 0.521 . . . . 71.24 110.044 176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.08 -24.5 43.45 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.009 0.924 . . . . 74.53 109.702 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.2 m-20 -68.51 109.11 3.57 Favored 'General case' 0 C--N 1.351 0.667 0 C-N-CA 123.518 0.727 . . . . 73.11 111.25 -176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HE2' HG13 ' A' ' 65' ' ' VAL . 12.8 ptpt -59.6 -35.71 74.85 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.895 0.747 . . . . 74.21 110.692 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -58.84 -40.56 84.57 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.294 0.996 . . . . 75.31 110.633 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 59.3 tttp -74.08 -47.97 32.89 Favored 'General case' 0 C--N 1.354 0.794 0 O-C-N 123.741 0.651 . . . . 75.23 110.294 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 36' ' ' ASP . 89.8 t -52.02 -41.59 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 123.857 0.723 . . . . 73.21 110.959 -178.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.58 -41.91 92.33 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.525 -0.761 . . . . 74.23 111.764 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 52.7 mt-10 -59.09 -39.85 83.47 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.029 0.532 . . . . 74.52 110.219 175.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 37.3 mm-40 -70.34 -37.63 74.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.328 -0.851 . . . . 71.31 110.759 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD13 ' HB2' ' A' ' 73' ' ' ALA . 73.5 mt -58.5 -38.99 73.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 C-N-CA 123.74 0.816 . . . . 54.41 110.008 176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.493 ' HG3' ' HE ' ' A' ' 48' ' ' ARG . 31.3 tt0 -69.89 -37.62 76.09 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.326 -0.852 . . . . 71.22 111.365 177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 91.8 mttt -65.64 -32.94 74.78 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.127 0.571 . . . . 72.51 111.08 177.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.23 -49.5 60.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.719 0.808 . . . . 43.02 111.909 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.611 ' HB3' HD11 ' A' ' 78' ' ' LEU . 28.1 ptt180 -69.85 -32.05 70.22 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.829 0.705 . . . . 74.33 110.908 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.45 -48.35 73.01 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.573 0.749 . . . . 74.05 110.172 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -74.04 -29.15 61.77 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 115.022 -0.99 . . . . 72.34 110.432 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.38 60.22 2.55 Favored Glycine 0 C--N 1.346 1.102 0 CA-C-N 115.867 -0.606 . . . . 73.13 111.911 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -165.45 159.41 13.85 Favored Pre-proline 0 CA--C 1.561 1.367 0 C-N-CA 123.861 0.864 . . . . 62.13 109.633 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.84 168.55 11.76 Favored 'Trans proline' 0 C--N 1.386 2.541 0 C-N-CA 122.304 2.002 . . . . 75.12 114.04 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 tt -139.93 147.47 23.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 124.34 1.056 . . . . 64.13 108.939 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.686 HG21 HG11 ' A' ' 22' ' ' VAL . 8.1 t -125.11 141.08 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.841 0.856 . . . . 74.24 109.925 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.57 129.5 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 123.282 0.633 . . . . 72.14 109.355 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.6 m-85 -109.88 118.71 37.19 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.224 0.61 . . . . 73.21 110.526 -177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 7.3 pt -145.6 164.99 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.421 1.088 . . . . 64.14 110.094 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -125.75 108.58 11.65 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.282 0.633 . . . . 73.51 111.26 -169.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 52.16 -89.82 0.01 OUTLIER Glycine 0 N--CA 1.481 1.645 0 C-N-CA 124.492 1.044 . . . . 64.0 115.443 169.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.49 -33.08 69.39 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.564 1.146 . . . . 74.55 112.371 178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.7 m-30 -68.35 -26.72 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.317 1.047 . . . . 74.15 111.344 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.653 ' HB2' HG11 ' A' ' 8' ' ' VAL . 30.5 tt0 -57.21 -28.26 62.71 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.319 0.648 . . . . 73.05 111.737 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -52.88 -38.15 61.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.678 0.791 . . . . 73.33 111.46 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.489 HG13 ' HE2' ' A' ' 37' ' ' LYS . 15.2 t -63.77 -30.04 48.88 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.288 0 C-N-CA 123.612 0.765 . . . . 74.5 111.389 -176.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' O ' HG23 ' A' ' 70' ' ' VAL . 92.9 t -54.97 -37.81 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 C-N-CA 123.936 0.895 . . . . 64.41 112.339 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 22.1 ttp180 -55.01 -32.59 61.92 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.036 0.535 . . . . 75.11 111.764 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.72 -45.24 37.82 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.636 0.774 . . . . 73.2 110.488 174.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 59.0 mt -66.17 -30.98 51.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.804 1.242 . . . . 64.34 112.054 -173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 66' ' ' VAL . 25.4 t -51.43 -47.25 35.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 124.457 1.103 . . . . 73.12 110.994 -178.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -53.02 -44.47 67.36 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.457 1.098 . . . . 64.03 111.61 -177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -59.73 -51.75 68.43 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 124.375 1.047 . . . . 74.05 110.936 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.83 -34.39 78.05 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 119.613 -0.232 . . . . 61.13 111.278 -177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -66.41 -45.27 80.5 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 122.882 0.473 . . . . 71.21 111.255 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.43 -23.78 61.12 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 122.932 0.493 . . . . 71.51 110.834 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.31 5.47 20.03 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.287 1.035 . . . . 71.11 111.552 173.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 67.5 27.97 73.58 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-O 120.888 0.16 . . . . 73.1 113.41 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.611 HD11 ' HB3' ' A' ' 48' ' ' ARG . 89.9 mt -117.59 128.03 54.55 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.719 1.208 . . . . 70.31 109.247 -174.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -74.05 138.97 44.37 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.57 -0.9 . . . . 75.53 108.57 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.409 HG23 HG13 ' A' ' 104' ' ' VAL . 1.7 m -108.3 130.5 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.776 0.831 . . . . 72.12 108.947 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 15.6 tp -129.61 106.46 8.75 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.656 -1.609 . . . . 64.24 106.656 -174.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.9 t -104.56 111.09 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 108.448 -0.945 . . . . 74.13 108.448 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 107' ' ' ARG . 59.7 mt -109.98 109.85 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 123.641 0.776 . . . . 73.14 109.297 -177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.444 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -128.38 143.37 50.99 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.687 -0.857 . . . . 62.44 108.687 175.001 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 111' ' ' ASN . 2.5 p -80.15 118.91 28.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.614 0 N-CA-C 108.549 -0.908 . . . . 62.41 108.549 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 110' ' ' ASP . . . -74.93 154.48 38.13 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-N 114.493 -1.23 . . . . 73.21 110.475 -176.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -167.21 165.89 15.13 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 105.78 -1.933 . . . . 75.53 105.78 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -65.11 82.96 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.287 0 CA-C-O 121.49 0.662 . . . . 64.33 111.661 -170.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -140.98 117.61 10.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.006 1.723 . . . . 74.25 108.418 178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.75 -32.69 72.64 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.333 0.653 . . . . 73.11 110.895 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.69 -43.46 98.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.166 0.986 . . . . 73.21 111.021 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.51 -44.85 89.63 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.832 0.853 . . . . 70.14 110.477 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.47 -29.17 52.57 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 123.869 0.731 . . . . 71.23 112.277 -177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 -66.35 -51.19 59.76 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 109.757 -0.46 . . . . 63.03 109.757 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -65.5 -41.04 93.64 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.259 0.974 . . . . 75.51 110.738 178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.13 -30.68 27.61 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.999 1.32 . . . . 62.34 112.318 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -74.63 -36.26 62.91 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.111 0.564 . . . . 71.23 110.84 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -60.81 -30.22 69.94 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.346 0.659 . . . . 61.02 111.435 178.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.493 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.9 mp -66.45 -49.37 66.89 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.772 -0.649 . . . . 71.54 109.622 175.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -68.34 -28.09 66.84 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.043 0.537 . . . . 60.23 111.588 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.02 -42.26 84.89 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.178 0.991 . . . . 72.4 109.381 176.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.72 -50.52 42.73 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.149 -0.932 . . . . 64.32 109.906 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 125.88 17.65 2.5 Favored Glycine 0 C--N 1.346 1.11 0 CA-C-N 115.117 -0.947 . . . . 75.23 112.357 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.493 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 90.2 t -65.26 137.18 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.3 1.04 . . . . 65.41 110.775 176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 1.6 m-20 -78.78 77.95 5.24 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 108.98 -0.748 . . . . 74.11 108.98 175.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -91.55 116.24 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.04 -0.726 . . . . 74.35 109.04 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.45 ' HB2' HG12 ' A' ' 83' ' ' ILE . 11.7 mmm180 -108.81 111.05 22.58 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.028 -0.987 . . . . 63.43 109.207 -174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.2 m -83.93 137.85 20.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 108.642 -0.873 . . . . 71.12 108.642 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 3.7 t -135.45 78.32 1.72 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.806 -0.813 . . . . 73.54 108.806 -174.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 13.9 t70 -71.16 73.44 0.65 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.175 0.99 . . . . 72.42 110.355 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' H ' HG23 ' A' ' 85' ' ' VAL . 1.5 m120 167.45 113.21 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 127.875 2.47 . . . . 54.44 106.263 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 85' ' ' VAL . 34.6 mt-10 -70.46 -21.1 62.82 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.884 0.874 . . . . 74.32 111.446 -176.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.56 -44.2 64.97 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.742 0.817 . . . . 75.01 110.084 169.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.52 -34.39 75.79 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.608 0.763 . . . . 72.02 111.375 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -56.01 -47.95 76.81 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 123.931 0.77 . . . . 74.34 110.305 177.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.565 ' HG3' HG21 ' A' ' 21' ' ' VAL . 36.8 ttmt -58.6 -43.2 89.49 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.632 1.573 . . . . 72.23 112.115 177.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -64.79 -48.74 73.38 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.087 0.867 . . . . 60.21 110.368 -178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.51 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 96.2 mtt180 -61.88 -35.09 77.3 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.824 0.85 . . . . 71.31 111.384 -176.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.522 HD21 HG22 ' A' ' 7' ' ' VAL . 74.2 mt -58.55 -52.36 65.98 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.952 0.782 . . . . 74.31 111.34 177.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -67.51 -35.36 78.97 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.61 -0.723 . . . . 72.22 110.143 -176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -55.56 -37.74 68.41 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 123.646 0.778 . . . . 74.42 111.504 175.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.555 HD13 HG11 ' A' ' 5' ' ' VAL . 84.1 mt -65.43 -52.53 52.61 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.981 0.801 . . . . 72.44 111.201 -179.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.538 HD23 ' HB3' ' A' ' 26' ' ' ASP . 10.6 mp -65.14 -37.82 88.65 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 123.902 0.751 . . . . 61.45 111.467 -173.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -68.92 -24.65 64.32 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.744 0.817 . . . . 54.02 111.555 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 49.5 mttp -113.37 13.92 19.1 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.858 0.863 . . . . 55.03 110.847 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t 53.2 80.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 125.346 1.458 . . . . 71.23 112.567 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.23 29.74 73.38 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 115.169 -0.923 . . . . 72.05 114.896 173.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 78.0 p -158.17 165.3 35.26 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 117.537 0.668 . . . . 61.53 111.188 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 2.4 pt? -150.87 164.0 37.33 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 123.87 0.868 . . . . 61.11 109.24 177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -81.2 161.5 23.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.232 0.539 . . . . 53.3 111.548 177.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 28.6 m80 -83.96 76.84 10.01 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.143 -0.935 . . . . 70.41 108.483 177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -91.34 95.7 10.14 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.362 -0.977 . . . . 75.52 108.362 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -153.73 119.31 5.23 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.918 0.887 . . . . 64.21 109.135 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -61.99 135.27 57.47 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 123.397 0.679 . . . . 73.03 111.771 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.7 p-80 -149.45 109.8 4.19 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.095 0.958 . . . . 62.43 109.143 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 . . . . . 0 C--O 1.253 1.282 0 N-CA-C 108.791 -0.818 . . . . 53.14 108.791 179.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mtm . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.763 -0.829 . . . . 72.02 108.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.85 79.9 0.1 OUTLIER Glycine 0 C--N 1.338 0.672 0 N-CA-C 111.002 -0.839 . . . . 71.23 111.002 -177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 79' ' ' ARG . 69.5 p -104.72 144.76 31.29 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.816 -0.809 . . . . 54.41 108.816 174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.5 t -124.07 113.72 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 106.291 -1.744 . . . . 73.31 106.291 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.3 m -117.88 112.42 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-O 121.418 0.628 . . . . 75.11 109.661 -176.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.36 108.3 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 108.611 -0.885 . . . . 74.44 108.611 -174.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -88.01 118.1 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 N-CA-C 108.915 -0.772 . . . . 72.35 108.915 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.546 HG22 ' HB ' ' A' ' 58' ' ' ILE . 43.8 t -125.52 140.18 49.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 C-N-CA 124.182 0.993 . . . . 74.11 109.719 -174.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.8 t -161.78 146.28 12.88 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.335 1.054 . . . . 65.43 108.828 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -69.66 -35.35 75.09 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 122.942 0.497 . . . . 61.3 110.443 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.61 122.28 27.91 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.405 -1.331 . . . . 75.21 107.405 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -84.66 -19.52 32.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.495 0.718 . . . . 74.3 111.634 -171.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -73.33 -31.9 64.26 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 122.91 0.484 . . . . 65.24 110.172 175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.404 HG13 ' HG2' ' A' ' 112' ' ' GLU . 1.3 mp -61.2 -44.33 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 N-CA-C 108.475 -0.935 . . . . 73.1 108.475 169.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.79 -38.38 90.9 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 122.729 0.412 . . . . 72.04 111.712 176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.07 -49.52 56.62 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.402 0.681 . . . . 71.51 111.355 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -47.75 80.7 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.436 0.694 . . . . 63.32 110.742 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.6 mp -68.15 -29.29 68.14 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.451 -0.795 . . . . 61.01 111.075 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 18.1 tp -55.8 -53.55 55.29 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.487 0.715 . . . . 75.41 109.528 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -64.03 -31.83 73.16 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 113.759 -1.564 . . . . 61.13 112.161 -174.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.502 HG21 ' HG3' ' A' ' 116' ' ' LYS . 96.2 t -59.71 -46.24 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 O-C-N 123.945 0.778 . . . . 74.31 110.008 175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 18' ' ' LEU . 18.4 t -71.6 -38.37 66.98 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.641 0.776 . . . . 71.33 110.558 -178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.427 HD13 ' HG ' ' A' ' 19' ' ' LEU . 9.0 mp -61.83 -50.88 70.51 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.782 0.833 . . . . 71.22 112.346 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -28.99 60.94 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 122.508 0.323 . . . . 74.04 110.92 -175.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.3 t -67.78 -41.91 82.52 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 109.449 -0.574 . . . . 42.31 109.449 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -166.98 107.24 0.64 Allowed Pre-proline 0 CA--C 1.555 1.135 0 O-C-N 123.557 0.536 . . . . 64.5 110.982 174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -80.5 -2.98 12.27 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.997 2.464 . . . . 63.41 113.839 176.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -78.99 -32.82 45.37 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.782 0.833 . . . . 64.21 110.09 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.59 137.06 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 70.11 109.568 170.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' HG2' HE22 ' A' ' 50' ' ' GLN . 32.6 mmmt -70.57 85.35 0.62 Allowed 'General case' 0 C--N 1.36 1.038 0 C-N-CA 123.391 0.676 . . . . 64.32 110.986 -178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.1 p -95.03 89.92 5.75 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 114.908 -1.042 . . . . 70.11 109.551 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 56' ' ' ILE . 57.5 t -125.06 116.44 47.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.14 -0.936 . . . . 73.33 110.366 -167.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.26 100.33 9.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 107.287 -1.375 . . . . 72.02 107.287 171.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -153.93 116.92 4.49 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.62 0.768 . . . . 40.2 109.878 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.81 -0.65 55.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.628 0.771 . . . . 75.32 110.984 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' HB2' ' HB3' ' A' ' 39' ' ' LYS . 3.6 m-20 -69.95 95.36 0.93 Allowed 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 108.943 -0.762 . . . . 74.34 108.943 172.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 12.1 pttp -49.45 -44.37 45.64 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.286 1.435 . . . . 54.1 113.677 -176.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -75.83 -32.72 59.92 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 124.196 0.998 . . . . 74.3 111.797 -178.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . 54.2 tttm -67.33 -44.81 78.21 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.84 0.456 . . . . 73.43 111.15 178.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.4 t -57.49 -38.38 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.348 -0.842 . . . . 73.34 111.159 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 63.1 mttp -58.31 -33.54 69.6 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.954 0.901 . . . . 65.34 112.495 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.01 -39.83 63.35 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.83 0.852 . . . . 70.53 110.428 179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -76.45 -26.43 55.42 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.081 -0.963 . . . . 75.44 111.007 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.1 mt -59.04 -48.4 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 74.34 110.177 174.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -54.49 -47.9 72.47 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.505 1.128 . . . . 70.54 110.788 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -63.0 -39.27 94.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.42 1.088 . . . . 35.02 111.624 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.501 ' O ' ' HG2' ' A' ' 50' ' ' GLN . . . -67.99 -53.3 27.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.352 0.661 . . . . 70.53 111.537 -177.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.93 -27.88 67.0 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.318 -0.401 . . . . 73.53 110.884 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -68.59 -41.91 78.95 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.609 0.764 . . . . 63.3 110.94 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' ' 47' ' ' ALA . 18.2 pt20 -78.28 -10.12 59.52 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 116.056 -0.52 . . . . 70.2 110.72 177.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.19 -9.46 69.87 Favored Glycine 0 C--N 1.356 1.665 0 CA-C-N 116.196 -0.456 . . . . 71.35 113.961 172.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -104.22 155.9 36.55 Favored Pre-proline 0 N--CA 1.48 1.071 0 C-N-CA 123.554 0.742 . . . . 74.53 111.066 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -65.71 175.86 4.07 Favored 'Trans proline' 0 C--N 1.381 2.283 0 C-N-CA 122.492 2.128 . . . . 71.13 113.818 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.4 tt -128.53 114.33 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-N 115.177 -0.92 . . . . 72.13 108.561 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 10.7 t -99.68 107.91 21.66 Favored 'Isoleucine or valine' 0 C--N 1.347 0.48 0 N-CA-C 108.981 -0.748 . . . . 75.3 108.981 -177.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 38.2 mm -101.4 120.73 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.097 0.559 . . . . 70.12 110.059 -177.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 29.3 m-85 -94.09 129.25 40.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.926 0.49 . . . . 75.22 109.953 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.546 ' HB ' HG22 ' A' ' 8' ' ' VAL . 42.3 mm -142.21 143.42 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.313 . . . . 72.25 109.09 -169.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.457 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 45.8 ttt180 -93.09 154.77 17.91 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 109.355 -0.609 . . . . 74.12 109.355 174.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -49.24 -37.33 24.05 Favored Glycine 0 N--CA 1.481 1.671 0 N-CA-C 116.226 1.25 . . . . 72.15 116.226 -172.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.18 -39.34 78.76 Favored 'General case' 0 N--CA 1.487 1.389 0 CA-C-O 121.528 0.68 . . . . 32.43 111.418 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.457 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 84.1 m-85 -75.56 -24.05 56.63 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.164 1.386 . . . . 72.14 111.891 -177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' HA ' HG21 ' A' ' 58' ' ' ILE . 34.9 tt0 -51.27 -30.47 17.97 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.534 1.133 . . . . 74.34 113.407 -174.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -55.93 -44.83 78.74 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 122.743 0.417 . . . . 63.21 111.733 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.7 t -60.55 -29.4 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.45 0 C-N-CA 124.216 1.006 . . . . 44.14 111.752 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.2 t -60.31 -32.25 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 124.466 1.106 . . . . 53.4 112.702 -179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 9.8 ttp180 -58.17 -29.83 65.92 Favored 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 123.283 0.633 . . . . 73.1 112.056 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.03 -39.46 83.12 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 123.665 0.786 . . . . 74.22 110.916 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.2 -42.11 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 C-N-CA 123.985 0.914 . . . . 74.13 110.105 176.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 104' ' ' VAL . 65.1 t -55.5 -40.66 59.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.942 1.297 . . . . 61.32 112.019 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -59.88 -50.88 72.04 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 123.763 0.664 . . . . 75.34 111.072 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -62.23 -39.63 93.47 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 124.512 1.133 . . . . 72.42 111.182 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.83 83.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 116.162 -0.472 . . . . 51.1 110.742 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.58 -27.78 65.41 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 122.701 0.401 . . . . 75.34 111.109 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -61.7 -43.24 99.23 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.024 0.53 . . . . 75.31 110.3 169.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -78.43 9.21 4.13 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.402 0.681 . . . . 72.34 111.534 176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.8 24.97 76.08 Favored Glycine 0 C--N 1.358 1.76 0 C-N-CA 123.45 0.548 . . . . 72.4 113.298 173.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 57.5 mt -90.89 139.46 30.73 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 123.818 0.847 . . . . 71.11 110.696 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.577 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.28 106.74 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 107.329 -1.36 . . . . 74.41 107.329 175.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 49.0 t -102.85 118.41 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 108.537 -0.912 . . . . 63.31 108.537 -172.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 50.8 tp -130.95 109.22 10.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.409 -1.33 . . . . 40.42 107.409 -171.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.729 HG21 HD13 ' A' ' 99' ' ' LEU . 16.5 m -95.27 118.49 41.58 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 109.223 -0.658 . . . . 74.35 109.223 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.3 mt -98.29 110.13 25.21 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 N-CA-C 106.725 -1.583 . . . . 74.51 106.725 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.4 133.09 46.11 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 123.335 0.654 . . . . 75.44 109.956 -173.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 75.5 t -85.49 113.06 23.19 Favored 'Isoleucine or valine' 0 C--O 1.242 0.71 0 C-N-CA 124.177 0.991 . . . . 65.4 109.037 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.538 ' HA ' HD22 ' A' ' 92' ' ' LEU . . . -79.58 146.77 32.4 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.254 1.022 . . . . 61.14 111.478 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -165.88 -44.53 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.956 0.902 . . . . 70.13 109.696 173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -68.0 -42.07 81.32 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.329 0.652 . . . . 60.14 109.409 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.452 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 97.5 mt-30 64.39 -72.97 0.06 Allowed 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.407 1.692 . . . . 74.23 111.242 -171.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.89 -47.97 73.06 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.312 1.045 . . . . 73.5 112.606 -171.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -70.25 -39.7 74.84 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.37 0.605 . . . . 74.53 109.756 176.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 HD22 ' HA ' ' A' ' 86' ' ' ALA . 12.2 tp -61.69 -28.67 69.57 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-N 114.681 -1.145 . . . . 71.41 111.085 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.66 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 9.2 tm-20 -69.01 -23.92 64.15 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.486 1.514 . . . . 54.31 110.997 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.2 tpp85 -58.98 -49.25 78.61 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.411 0.684 . . . . 74.21 111.514 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 67.1 t80 -77.04 -40.84 44.88 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 115.902 -0.59 . . . . 72.12 110.149 176.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.66 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 50.7 t80 -53.22 -39.22 63.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.846 1.258 . . . . 75.42 112.538 179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -69.9 -45.5 67.46 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.248 1.019 . . . . 74.43 110.195 -176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -56.79 -34.25 67.47 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 124.221 0.951 . . . . 71.44 111.563 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.729 HD13 HG21 ' A' ' 82' ' ' VAL . 24.3 mt -68.03 -53.62 24.48 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.108 0.963 . . . . 61.41 110.88 176.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -69.57 -28.8 66.28 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.203 1.001 . . . . 75.54 112.408 -173.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -80.73 -36.16 32.47 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.305 1.042 . . . . 71.23 110.163 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.69 -54.66 24.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.351 0.661 . . . . 62.24 109.814 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.24 26.65 0.27 Allowed Glycine 0 N--CA 1.471 1.003 0 CA-C-N 115.339 -0.846 . . . . 51.44 111.955 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 70' ' ' VAL . 59.5 t -98.43 143.59 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.97 1.308 . . . . 73.53 109.835 -178.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -83.37 143.74 30.12 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 109.535 -0.543 . . . . 61.21 109.535 177.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 96' ' ' TYR . 48.9 t -126.15 142.67 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 123.779 0.832 . . . . 73.12 110.295 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.11 107.98 16.05 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.342 1.057 . . . . 74.1 108.399 167.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.3 m -94.95 112.65 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 107.369 -1.345 . . . . 75.34 107.369 166.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 40.8 p -99.83 -33.44 10.55 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.444 -0.798 . . . . 62.02 110.456 -173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.6 t70 72.98 -63.29 0.44 Allowed 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.663 1.585 . . . . 64.2 111.675 176.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -82.12 135.87 35.24 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.538 -0.542 . . . . 62.31 109.538 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.404 ' HG2' HG13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -64.76 -25.4 67.91 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.107 0.563 . . . . 75.22 111.217 172.09 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 117' ' ' LYS . 14.6 t70 -59.36 -48.29 82.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.927 1.291 . . . . 75.11 110.116 172.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 10.8 tp10 -67.6 -42.91 81.68 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.976 0.798 . . . . 71.42 110.728 178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.526 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -59.06 -40.94 86.72 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.048 0.539 . . . . 73.43 111.06 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.502 ' HG3' HG21 ' A' ' 21' ' ' VAL . 34.8 ttmt -61.79 -36.4 80.98 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.764 1.626 . . . . 75.21 111.266 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 113' ' ' ASP . 41.0 mttm -65.25 -52.81 52.03 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 115.506 -0.77 . . . . 54.43 109.507 174.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.514 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 27.2 mmt85 -58.7 -40.6 84.13 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 114.617 -1.174 . . . . 73.24 111.958 -172.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 81.2 mt -57.67 -51.13 70.79 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.643 0.777 . . . . 71.12 111.39 -177.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.57 -42.68 99.7 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 114.956 -1.02 . . . . 65.12 110.6 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -60.72 -40.19 91.38 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.376 1.07 . . . . 74.42 112.74 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 76.1 mt -72.58 -32.76 66.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.094 -0.503 . . . . 73.23 110.129 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.7 mp -65.11 -38.92 92.25 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 122.82 0.448 . . . . 75.21 111.171 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.33 -28.27 69.59 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.782 0.833 . . . . 74.4 111.571 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -114.93 15.89 17.26 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.713 0.805 . . . . 55.23 112.095 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.9 p 56.5 13.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.517 2.903 0 C-N-CA 126.718 2.007 . . . . 74.52 113.51 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.551 ' HA3' HG21 ' A' ' 3' ' ' THR . . . 140.02 -100.37 0.28 Allowed Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 109.879 -1.288 . . . . 70.13 109.879 -178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 24.6 m 67.95 -176.77 0.2 Allowed 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.068 1.347 . . . . 65.31 111.505 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.438 HD13 ' NH1' ' A' ' 79' ' ' ARG . 2.3 pt? -160.43 -4.03 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.095 0.558 . . . . 72.54 112.229 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -83.15 74.74 9.98 Favored 'General case' 0 CA--C 1.554 1.101 0 O-C-N 121.223 -0.923 . . . . 75.01 109.924 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -166.75 87.25 0.31 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.437 1.095 . . . . 72.4 109.148 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -97.35 -35.64 10.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.806 0.843 . . . . 74.41 110.223 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 80.48 -40.88 0.18 Allowed 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 126.064 1.746 . . . . 50.33 111.279 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -140.7 121.16 14.09 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 108.724 -0.843 . . . . 75.31 108.724 170.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -68.83 133.21 47.97 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.253 0.621 . . . . 72.41 109.825 172.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 36.1 m-70 . . . . . 0 C--O 1.248 0.986 0 N-CA-C 107.938 -1.134 . . . . 73.51 107.938 172.854 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 110.718 -0.104 . . . . 75.3 110.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.1 37.68 87.45 Favored Glycine 0 C--N 1.355 1.604 0 O-C-N 123.561 0.538 . . . . 62.01 112.968 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.3 m -69.63 137.76 52.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.338 0.655 . . . . 63.44 110.474 -177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 57.4 t -102.9 114.82 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 107.517 -1.29 . . . . 75.23 107.517 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.7 m -127.63 116.67 44.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 109.018 -0.734 . . . . 55.33 109.018 178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.4 ' HB ' HG13 ' A' ' 82' ' ' VAL . 24.6 mm -105.32 105.91 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 N-CA-C 108.578 -0.897 . . . . 73.2 108.578 -173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.1 t -87.09 107.0 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-O 121.649 0.738 . . . . 72.1 109.037 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.66 142.76 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.395 -1.275 . . . . 44.25 108.115 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.7 m -149.94 172.9 14.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.313 0.645 . . . . 74.45 109.278 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -93.62 -55.74 3.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.194 0.598 . . . . 75.51 109.432 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.701 ' HB2' HG12 ' A' ' 14' ' ' ILE . 5.3 m-20 -77.73 147.4 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 115.904 -0.589 . . . . 75.12 111.045 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.18 -37.86 78.37 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 114.639 -1.164 . . . . 65.25 110.498 178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -70.42 -27.12 64.03 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 114.919 -1.037 . . . . 75.52 111.151 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.701 HG12 ' HB2' ' A' ' 11' ' ' ASP . 28.6 mm -70.9 -38.6 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 109.501 -0.555 . . . . 73.31 109.501 176.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.12 -42.65 96.76 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 116.734 -0.212 . . . . 72.12 111.35 173.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 35.0 tt0 -66.91 -50.15 63.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.093 0.557 . . . . 73.4 111.171 -178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -48.48 80.98 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.204 1.002 . . . . 73.12 110.935 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 ' O ' HG23 ' A' ' 22' ' ' VAL . 9.2 mp -68.8 -28.13 66.49 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 75.32 111.016 178.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 55.2 tp -60.63 -47.65 85.28 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.109 0.563 . . . . 72.54 110.846 176.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 35.8 mt-10 -63.77 -30.83 71.88 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.981 -1.009 . . . . 70.0 110.809 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 116' ' ' LYS . 95.7 t -62.85 -41.44 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 C-N-CA 123.988 0.915 . . . . 44.45 110.836 174.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' HD23 ' A' ' 123' ' ' LEU . 30.9 t -71.48 -46.78 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 123.104 0.562 . . . . 74.53 110.266 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.5 mt -57.35 -41.26 79.74 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.246 1.018 . . . . 70.31 112.638 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -81.96 -23.45 36.11 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 116.541 -0.3 . . . . 75.21 110.803 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.2 t -76.82 -33.43 57.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 122.628 0.371 . . . . 41.14 110.789 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -162.83 130.44 2.66 Favored Pre-proline 0 CA--C 1.557 1.224 0 O-C-N 123.42 0.45 . . . . 71.23 110.031 -179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -80.57 -24.22 5.35 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 123.364 2.71 . . . . 74.51 114.102 -177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -102.76 -12.91 17.28 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.823 0.449 . . . . 63.02 111.921 -174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG22 ' HD2' ' A' ' 53' ' ' PRO . 42.7 t -66.83 104.95 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 N-CA-C 107.834 -1.173 . . . . 65.42 107.834 168.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -77.32 112.91 14.53 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.378 -0.828 . . . . 72.42 111.461 -164.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.9 p -90.0 117.4 28.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.794 0.838 . . . . 63.43 109.624 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.3 t -123.01 113.44 37.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.587 0.755 . . . . 75.25 108.991 176.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -89.32 96.76 10.85 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 107.924 -1.139 . . . . 73.13 107.924 170.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.7 m -153.6 136.79 15.64 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.398 0.679 . . . . 63.3 109.575 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -106.82 -18.01 14.05 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.6 1.16 . . . . 73.2 110.696 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.99 102.79 0.18 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.65 0.78 . . . . 74.42 109.616 178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -57.5 -33.57 68.17 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.985 0.914 . . . . 74.01 112.63 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -61.56 -41.78 97.89 Favored 'General case' 0 CA--C 1.55 0.947 0 O-C-N 123.672 0.608 . . . . 75.23 110.486 176.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 62.6 tttp -79.54 -38.96 32.99 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 122.656 0.383 . . . . 75.04 111.356 -177.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 HG12 ' A' ' 56' ' ' ILE . 80.3 t -63.03 -42.21 95.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 122.468 0.307 . . . . 65.34 110.423 -176.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.46 -37.81 87.37 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.662 0.602 . . . . 74.51 110.909 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG2' ' HD2' ' A' ' 46' ' ' LYS . 20.7 tt0 -61.88 -45.98 91.38 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.617 -0.72 . . . . 73.44 109.634 176.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG3' HG11 ' A' ' 32' ' ' VAL . 69.0 mm-40 -66.38 -31.09 71.64 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 123.793 0.837 . . . . 75.04 111.391 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.508 HD13 ' HB2' ' A' ' 73' ' ' ALA . 74.2 mt -60.17 -50.0 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.51 0.724 . . . . 73.01 109.966 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.07 -46.36 84.67 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 123.711 0.632 . . . . 74.24 111.138 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' HG2' ' A' ' 42' ' ' GLU . 55.3 mtpt -65.21 -35.32 80.69 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.295 0.638 . . . . 64.14 111.716 -175.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.81 66.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.041 -0.527 . . . . 73.22 110.978 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.7 ppt_? -71.91 -27.47 62.85 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 112.096 0.406 . . . . 72.54 112.096 -178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.96 -37.47 87.54 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 123.943 0.777 . . . . 70.4 109.112 176.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -77.72 -37.52 49.19 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.6 -0.727 . . . . 72.13 110.113 171.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.28 7.78 54.05 Favored Glycine 0 N--CA 1.474 1.174 0 C-N-CA 123.869 0.747 . . . . 61.11 112.818 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -86.48 146.52 42.07 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 123.471 0.708 . . . . 74.23 110.727 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.561 ' HD2' HG22 ' A' ' 29' ' ' VAL . 30.5 Cg_exo -64.3 138.63 61.75 Favored 'Trans proline' 0 C--N 1.368 1.58 0 C-N-CA 122.706 2.27 . . . . 71.5 112.281 169.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 tp -106.39 129.14 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 N-CA-C 108.81 -0.811 . . . . 70.34 108.81 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.9 t -121.97 108.81 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.062 0.545 . . . . 44.04 109.894 -174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 HG13 ' A' ' 40' ' ' VAL . 1.9 mp -94.59 116.6 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.461 -0.57 . . . . 54.5 109.461 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 39.7 m-85 -95.83 120.2 35.67 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.263 1.025 . . . . 62.33 109.526 175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 16.3 pt -155.12 163.15 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.437 1.095 . . . . 71.43 110.341 -175.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.534 ' H ' ' HD2' ' A' ' 62' ' ' TYR . 26.1 ttm180 -92.96 164.71 13.19 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 108.56 -0.904 . . . . 74.01 108.56 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.11 -25.4 53.89 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.916 0.726 . . . . 64.22 114.916 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.83 79.72 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 121.276 0.56 . . . . 51.2 110.679 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.534 ' HD2' ' H ' ' A' ' 59' ' ' ARG . 39.8 m-85 -71.03 -30.54 66.77 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.873 -1.058 . . . . 74.11 111.137 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -59.43 -27.0 65.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.582 0.753 . . . . 74.41 112.655 -178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -53.97 -35.23 61.57 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 123.45 0.7 . . . . 74.4 111.925 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.53 -33.04 43.89 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.954 0.902 . . . . 63.35 110.799 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 70' ' ' VAL . 93.0 t -62.24 -32.05 53.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.359 1.063 . . . . 72.15 112.545 -173.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -54.41 -32.86 58.19 Favored 'General case' 0 CA--C 1.562 1.413 0 O-C-N 123.28 0.363 . . . . 64.12 111.437 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -74.51 -47.47 32.85 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.984 0.914 . . . . 61.24 110.467 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 66' ' ' VAL . 62.9 mt -59.32 -34.9 55.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 124.738 1.215 . . . . 74.01 111.846 -173.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.655 HG11 HG21 ' A' ' 104' ' ' VAL . 70.0 t -59.66 -34.55 55.6 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 C-N-CA 123.921 0.889 . . . . 64.43 111.139 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.5 tt0 -54.79 -45.03 74.26 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.78 0.675 . . . . 71.42 110.926 177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -60.04 -46.06 90.77 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 123.603 0.564 . . . . 75.32 110.772 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -62.03 -31.48 71.88 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.11 0.564 . . . . 41.13 111.607 178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.55 HE21 HG12 ' A' ' 70' ' ' VAL . 79.9 mt-30 -69.07 -35.35 76.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.346 0.658 . . . . 62.34 110.515 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 69.1 mmtt -67.65 -37.95 83.13 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.155 0.502 . . . . 70.52 109.691 176.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -68.27 -23.65 64.79 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 71.43 110.921 175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.5 26.24 63.75 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 116.003 -0.544 . . . . 65.43 112.809 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 85.4 mt -89.51 150.07 22.62 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.889 0.875 . . . . 74.14 110.293 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.9 115.52 13.45 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 108.139 -1.06 . . . . 64.44 108.139 178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 HG13 ' A' ' 70' ' ' VAL . 21.4 t -104.51 120.56 55.08 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 N-CA-C 108.427 -0.953 . . . . 60.03 108.427 -176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 11.9 tp -135.69 107.17 6.89 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 107.598 -1.26 . . . . 60.4 107.598 -174.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' A' ' 6' ' ' ILE . 56.2 t -97.18 111.06 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 N-CA-C 109.192 -0.67 . . . . 71.32 109.192 -175.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 73.2 mt -100.1 108.89 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 108.439 -0.949 . . . . 72.52 108.439 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -125.17 134.46 52.39 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.068 0.947 . . . . 43.4 110.001 -168.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 94.8 t -85.55 109.19 18.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.257 0.551 . . . . 75.23 109.757 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -90.48 87.91 6.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.277 1.031 . . . . 64.15 110.74 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -82.5 71.66 9.57 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 116.15 -0.477 . . . . 72.12 110.715 178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.0 t70 56.86 25.2 10.14 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.5 1.12 . . . . 72.35 112.343 173.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.494 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 84.9 mm-40 -76.36 124.08 26.96 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.54 0.736 . . . . 42.22 110.797 -175.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -76.27 -44.86 35.3 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.76 1.224 . . . . 73.12 109.957 177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tt -60.78 -27.2 67.82 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.224 1.41 . . . . 61.23 110.397 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 3.5 tp -53.31 -45.33 68.95 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 124.29 1.036 . . . . 70.51 111.539 -174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -63.58 -27.48 69.28 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.47 1.106 . . . . 71.22 112.126 -172.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 98' ' ' GLN . 73.0 ttt180 -66.89 -52.05 48.0 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.942 0.497 . . . . 72.24 110.175 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -72.55 -42.45 64.69 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.279 0.632 . . . . 73.34 110.316 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -54.77 -42.37 71.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.196 1.398 . . . . 75.15 111.378 -179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -70.08 -32.53 70.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.921 0.763 . . . . 71.43 110.116 -175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 94' ' ' ARG . 26.5 mm-40 -62.96 -42.42 99.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.476 0.71 . . . . 65.1 112.436 -176.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.0 mp -69.96 -42.54 73.05 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 109.589 -0.523 . . . . 62.44 109.589 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.631 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.7 mmpt? -67.13 -29.04 68.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.86 0.864 . . . . 73.12 112.012 -178.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -85.54 -32.99 21.86 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.25 1.02 . . . . 72.3 110.16 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -65.79 -45.47 82.31 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.29 0.636 . . . . 61.23 109.644 173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.05 -17.42 0.92 Allowed Glycine 0 C--N 1.345 1.034 0 CA-C-N 115.441 -0.799 . . . . 62.54 112.95 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG21 HG11 ' A' ' 70' ' ' VAL . 81.6 t -80.34 137.39 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.605 1.162 . . . . 65.02 112.0 -171.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.631 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -87.13 101.01 13.08 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.381 0.61 . . . . 71.4 111.245 178.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 p -91.73 118.06 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.433 -1.321 . . . . 54.42 107.433 161.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -101.16 109.09 20.92 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.413 1.085 . . . . 74.03 109.496 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG11 HD21 ' A' ' 92' ' ' LEU . 14.8 m -92.95 124.96 45.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.327 0.584 . . . . 53.03 110.587 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.6 m -106.46 114.91 29.31 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 107.848 -1.167 . . . . 75.21 107.848 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.92 -34.12 69.53 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 123.998 0.919 . . . . 53.13 111.935 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -102.46 153.09 20.38 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 114.688 -1.142 . . . . 74.24 110.096 -175.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -82.21 -54.04 5.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.68 1.192 . . . . 72.24 109.914 -173.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 116' ' ' LYS . 32.5 t70 -66.34 -28.61 68.8 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.42 -1.718 . . . . 72.43 111.085 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -67.18 -40.86 86.64 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 123.043 0.537 . . . . 73.02 111.151 175.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.66 -32.12 73.12 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.401 0.68 . . . . 74.43 111.569 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.758 ' HG3' HG21 ' A' ' 21' ' ' VAL . 33.0 ttmt -59.54 -47.34 85.91 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.668 1.187 . . . . 73.13 111.502 174.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -63.41 -44.47 94.54 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 115.286 -0.87 . . . . 73.01 109.438 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.487 ' O ' HD13 ' A' ' 122' ' ' LEU . 12.4 tpt180 -62.55 -42.05 99.29 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 113.967 -1.469 . . . . 75.45 110.165 -176.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.01 -51.32 69.74 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.774 0.671 . . . . 74.03 110.316 176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.528 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 6.9 mmtt -56.57 -48.72 76.76 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 124.283 0.989 . . . . 72.35 111.053 -176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.55 ' HB3' HD23 ' A' ' 129' ' ' LEU . 48.2 mt-10 -53.74 -47.76 70.31 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 124.238 0.961 . . . . 75.12 111.402 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 118' ' ' ARG . 11.2 mp -68.19 -38.67 82.23 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.793 -1.094 . . . . 75.54 110.907 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 22' ' ' VAL . 0.9 OUTLIER -77.97 -21.55 50.79 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.731 0.812 . . . . 73.4 112.063 -172.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 13.0 mm-40 -59.94 -34.09 72.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.391 0.677 . . . . 72.32 112.146 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -100.53 -49.03 4.34 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.45 0.3 . . . . 74.34 110.418 177.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.67 -61.08 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 122.857 0.463 . . . . 65.31 111.28 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.45 30.94 0.02 OUTLIER Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.139 -0.784 . . . . 50.14 111.139 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 37.2 t -164.37 127.83 2.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.13 0.572 . . . . 73.31 110.1 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.55 HD23 ' HB3' ' A' ' 121' ' ' GLU . 32.3 tp -155.82 132.23 10.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.644 0.777 . . . . 75.25 110.629 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 60.27 84.92 0.11 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.57 1.548 . . . . 73.33 112.648 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -91.71 -0.85 57.58 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.949 0.899 . . . . 73.42 110.849 172.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -85.48 48.65 1.62 Allowed 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.596 1.189 . . . . 63.42 109.55 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -133.37 11.47 4.14 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.496 1.518 . . . . 73.04 107.662 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -89.51 80.64 6.67 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 124.322 1.049 . . . . 73.45 110.84 -166.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 28.5 p-80 -132.79 -22.36 2.11 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 115.178 -0.919 . . . . 74.33 108.81 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 73.5 t60 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.236 1.015 . . . . 73.54 108.58 -176.742 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtm . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.559 -0.163 . . . . 62.11 110.559 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.18 31.67 33.9 Favored Glycine 0 C--N 1.352 1.417 0 N-CA-C 111.325 -0.71 . . . . 72.33 111.325 -173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' HB3' ' A' ' 79' ' ' ARG . 70.4 p -110.98 157.52 19.83 Favored 'General case' 0 C--O 1.243 0.72 0 C-N-CA 123.574 0.749 . . . . 65.25 110.445 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.481 HG13 HG23 ' A' ' 54' ' ' ILE . 56.4 t -128.58 113.91 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 N-CA-C 106.56 -1.644 . . . . 74.11 106.56 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 14.7 m -111.3 125.17 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 109.087 -0.708 . . . . 75.31 109.087 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.591 HD13 HG12 ' A' ' 82' ' ' VAL . 4.1 mp -116.0 123.4 71.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 107.862 -1.162 . . . . 72.53 107.862 -178.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.61 106.16 15.53 Favored 'Isoleucine or valine' 0 C--O 1.241 0.647 0 N-CA-C 107.826 -1.175 . . . . 71.53 107.826 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.9 t -101.23 118.47 48.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 114.587 -1.188 . . . . 62.23 108.608 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' HB2' ' HG ' ' A' ' 15' ' ' LEU . 7.8 m -144.14 135.01 25.19 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.285 -1.005 . . . . 71.42 108.285 178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -75.43 -25.2 57.32 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.489 0.716 . . . . 75.53 111.11 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -99.94 148.93 23.95 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.886 0.874 . . . . 62.35 109.914 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -86.14 -41.05 15.05 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.92 0.888 . . . . 64.24 111.873 -172.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.07 -26.21 66.62 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.808 0.443 . . . . 73.24 111.038 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.436 ' O ' HD13 ' A' ' 18' ' ' LEU . 38.3 mm -61.89 -48.01 90.56 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 109.3 -0.63 . . . . 74.53 109.3 171.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' HB2' ' A' ' 9' ' ' SER . 84.4 mt -59.82 -34.0 72.49 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.091 0.556 . . . . 63.05 112.107 176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -71.69 -48.18 49.17 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.213 0.605 . . . . 64.14 110.762 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.31 -46.31 83.32 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.563 1.145 . . . . 63.33 110.611 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 14' ' ' ILE . 7.8 mp -69.79 -28.91 66.13 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.98 -1.464 . . . . 63.32 111.338 -178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 11.0 tp -58.35 -53.31 59.7 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.534 0.734 . . . . 71.33 110.776 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.48 -30.41 71.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 113.913 -1.494 . . . . 71.45 110.821 -173.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.99 -39.16 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 123.534 0.733 . . . . 73.13 111.023 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.4 t -71.58 -40.29 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 N-CA-C 110.166 -0.309 . . . . 73.22 110.166 176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -57.82 -49.57 76.19 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.063 0.945 . . . . 73.03 111.765 178.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -70.71 -37.44 73.54 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.899 -0.591 . . . . 71.21 110.993 -173.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.2 m -71.99 -42.1 66.85 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 123.149 0.58 . . . . 71.14 110.937 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -148.59 113.92 3.76 Favored Pre-proline 0 CA--C 1.549 0.921 0 N-CA-C 109.87 -0.418 . . . . 75.22 109.87 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -85.72 -11.79 6.66 Favored 'Trans proline' 0 C--N 1.372 1.777 0 C-N-CA 122.729 2.286 . . . . 75.32 113.759 177.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -84.41 -27.27 27.72 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.496 0.718 . . . . 54.45 111.331 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG23 HG23 ' A' ' 31' ' ' THR . 28.4 m -67.76 146.88 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 122.933 0.493 . . . . 71.14 110.733 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -77.7 81.75 4.12 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.267 0.627 . . . . 72.02 111.137 -178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.405 HG23 HG23 ' A' ' 29' ' ' VAL . 36.1 p -76.19 91.42 3.17 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.769 0.828 . . . . 60.11 109.614 174.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' HB ' HD13 ' A' ' 56' ' ' ILE . 43.4 t -115.44 115.02 48.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.596 -0.729 . . . . 71.2 109.253 -174.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -102.27 123.33 45.91 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 108.103 -1.073 . . . . 71.1 108.103 168.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.7 t -170.48 140.97 1.87 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.712 0.805 . . . . 62.25 109.92 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -97.66 5.66 49.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.474 0.71 . . . . 54.52 110.394 175.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.33 -18.73 65.28 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.781 0.832 . . . . 75.22 111.813 -168.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 73.36 -72.51 0.11 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.216 1.407 . . . . 71.52 111.187 174.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 41' ' ' LYS . 10.0 pt-20 -60.86 -35.72 77.31 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.664 0.785 . . . . 63.34 111.621 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -57.96 -37.65 74.56 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 123.542 0.526 . . . . 72.24 111.432 177.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.605 HG11 HD13 ' A' ' 69' ' ' ILE . 98.8 t -55.12 -39.14 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 O-C-N 123.527 0.517 . . . . 65.54 110.951 178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -65.68 -43.29 89.73 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.652 0.781 . . . . 70.43 110.614 178.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.15 -46.23 90.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.236 0.615 . . . . 73.31 110.928 175.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -69.24 -32.14 71.18 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 123.571 0.544 . . . . 73.45 111.534 -177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.1 mt -61.42 -50.68 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.237 0.615 . . . . 74.1 109.467 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -57.1 -50.19 73.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.516 1.126 . . . . 74.31 110.075 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -60.47 -43.57 96.78 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 124.406 1.083 . . . . 64.41 111.518 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.25 -55.71 22.61 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 123.51 0.506 . . . . 75.53 110.408 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -68.0 -27.52 66.64 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.261 0.624 . . . . 71.44 111.993 -174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -60.1 -44.31 94.92 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.006 0.923 . . . . 75.43 109.981 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -80.63 -18.67 47.4 Favored 'General case' 0 CA--C 1.554 1.099 0 CA-C-N 114.653 -1.158 . . . . 73.43 110.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.63 32.29 11.69 Favored Glycine 0 C--N 1.349 1.283 0 CA-C-N 115.829 -0.623 . . . . 62.04 112.554 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -109.82 157.44 37.66 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 124.552 1.141 . . . . 64.42 110.75 -176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_endo -83.7 162.1 14.34 Favored 'Trans proline' 0 C--N 1.369 1.626 0 C-N-CA 122.615 2.21 . . . . 72.31 110.788 169.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 56' ' ' ILE . 7.4 tt -131.98 133.67 60.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.275 0.63 . . . . 74.22 109.368 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.1 t -116.14 108.51 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 123.826 0.85 . . . . 72.44 109.198 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.603 HD11 HD11 ' A' ' 54' ' ' ILE . 32.3 mm -100.9 117.69 46.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.347 0.659 . . . . 64.42 110.941 -175.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 57.7 m-85 -95.93 116.89 29.6 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.409 0.683 . . . . 72.24 109.223 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.5 pt -145.24 145.93 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.661 0.784 . . . . 74.42 110.351 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -112.25 118.31 34.95 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.656 0.782 . . . . 74.54 111.776 -168.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' A' ' 63' ' ' GLU . . . 53.4 -86.54 0.01 OUTLIER Glycine 0 C--N 1.35 1.309 0 O-C-N 124.896 1.373 . . . . 63.13 115.706 164.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.18 80.23 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.979 0.895 . . . . 52.55 110.683 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.493 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 m-30 -73.54 -27.42 61.34 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.916 -1.493 . . . . 71.12 111.604 -178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 60' ' ' GLY . 4.7 pt-20 -61.59 -29.43 70.03 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.519 0.327 . . . . 31.05 111.228 -177.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.34 -32.57 64.82 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.415 0.686 . . . . 65.32 111.719 176.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.3 -28.75 45.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 C-N-CA 123.945 0.898 . . . . 73.52 111.525 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 82' ' ' VAL . 67.3 t -53.06 -31.77 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 122.725 0.41 . . . . 63.51 111.473 178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 47.4 ttp85 -54.49 -50.47 67.71 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.725 0.81 . . . . 73.24 111.389 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -78.79 -29.44 44.94 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 112.278 0.473 . . . . 71.51 112.278 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.605 HD13 HG11 ' A' ' 40' ' ' VAL . 97.0 mt -60.96 -36.04 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 C-N-CA 123.577 0.751 . . . . 53.34 110.528 173.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 74' ' ' GLN . 2.3 t -61.41 -48.59 88.15 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 C-N-CA 124.923 1.289 . . . . 64.43 109.12 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -54.22 -46.94 72.62 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.539 1.15 . . . . 73.33 111.491 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.56 -47.79 82.33 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.917 0.761 . . . . 61.2 111.412 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.06 -29.67 70.99 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 123.213 0.605 . . . . 74.33 111.305 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 70' ' ' VAL . 94.7 mt-30 -67.81 -34.15 76.18 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.652 0.781 . . . . 61.02 110.833 173.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -67.09 -35.55 80.06 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 109.525 -0.546 . . . . 60.45 109.525 176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.17 -22.04 59.58 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.027 -0.988 . . . . 62.31 110.6 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.41 33.82 47.17 Favored Glycine 0 C--N 1.349 1.254 0 CA-C-N 116.045 -0.525 . . . . 54.33 112.225 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 91.0 mt -95.02 149.91 20.75 Favored 'General case' 0 C--O 1.239 0.55 0 C-N-CA 124.027 0.931 . . . . 54.44 110.668 -178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.502 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -73.52 118.63 16.7 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.016 -1.476 . . . . 74.41 107.016 172.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 13.6 t -107.18 124.23 62.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 N-CA-C 108.23 -1.026 . . . . 72.31 108.23 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 44.4 tp -138.09 108.71 6.59 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.015 0.926 . . . . 72.31 108.723 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.591 HG12 HD13 ' A' ' 6' ' ' ILE . 16.6 m -97.27 127.49 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 N-CA-C 109.728 -0.471 . . . . 75.41 109.728 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -100.32 112.88 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 108.279 -1.008 . . . . 54.21 108.279 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -122.6 137.45 54.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.456 0.702 . . . . 71.3 110.948 -168.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 110' ' ' ASP . 2.4 p -115.69 111.65 36.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.407 1.083 . . . . 50.5 108.745 171.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.57 148.22 24.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.697 -0.683 . . . . 62.34 109.464 173.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -114.53 34.59 4.66 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.586 1.154 . . . . 73.35 108.726 174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 29.6 t70 70.08 81.39 0.17 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.111 1.764 . . . . 75.14 110.82 -176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 -133.96 114.39 13.21 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.219 -1.03 . . . . 64.23 108.219 172.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.24 -31.55 70.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.131 0.972 . . . . 65.15 110.875 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.3 tp -66.34 -31.31 72.01 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.585 0.754 . . . . 63.33 110.963 176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.65 -30.3 71.43 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 124.057 0.943 . . . . 75.43 111.327 174.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.62 -23.71 67.49 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.144 0.578 . . . . 53.31 111.934 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -64.91 -45.63 85.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 122.99 0.516 . . . . 53.44 110.21 173.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -61.93 -48.24 81.31 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 123.707 0.629 . . . . 74.11 110.174 176.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -52.26 -53.04 48.89 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.891 0.876 . . . . 75.13 110.452 177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.55 -28.74 68.77 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 114.434 -1.257 . . . . 64.52 111.506 -175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -63.6 -43.75 95.99 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.645 0.778 . . . . 73.41 111.074 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.39 -29.68 59.91 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.599 177.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.1 mmpt? -74.5 -31.03 62.05 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.676 0.621 . . . . 75.35 112.676 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -21.02 37.12 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.37 0.268 . . . . 74.21 110.299 174.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.31 -63.4 1.2 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.044 0.938 . . . . 64.2 110.55 176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.59 -30.66 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 115.552 -0.749 . . . . 72.01 111.754 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.409 HG21 HG13 ' A' ' 70' ' ' VAL . 42.7 t -68.17 139.86 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.754 0.821 . . . . 75.24 111.675 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.81 146.05 24.27 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 122.932 0.493 . . . . 73.44 110.909 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 HG23 ' A' ' 82' ' ' VAL . 19.1 t -122.63 117.1 50.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 108.538 -0.912 . . . . 73.05 108.538 176.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HG3' HD11 ' A' ' 122' ' ' LEU . 28.5 mmt180 -86.26 108.06 18.22 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.381 -0.97 . . . . 65.25 108.381 177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -85.77 117.12 30.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 121.668 0.747 . . . . 74.43 109.34 177.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.597 HG22 ' HD2' ' A' ' 118' ' ' ARG . 81.8 p -105.32 -51.9 2.93 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 107.66 -1.237 . . . . 61.03 107.66 177.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' H ' ' HA ' ' A' ' 85' ' ' VAL . 15.2 m-20 61.5 16.14 7.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.498 1.519 . . . . 61.34 113.016 169.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -137.21 136.9 38.56 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 106.615 -1.624 . . . . 73.14 106.615 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -57.86 -44.63 86.69 Favored 'General case' 0 N--CA 1.491 1.575 0 C-N-CA 124.036 0.935 . . . . 73.24 111.526 -174.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 116' ' ' LYS . 36.1 t70 -72.98 -45.85 55.63 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.026 -1.443 . . . . 75.51 110.698 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 117' ' ' LYS . 9.0 tp10 -67.1 -28.63 68.32 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.211 0.605 . . . . 72.3 111.68 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.447 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -58.95 -54.8 43.08 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.321 0.648 . . . . 42.14 111.486 179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 113' ' ' ASP . 20.9 pttp -69.19 -30.82 69.1 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.537 0.735 . . . . 73.43 112.299 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 114' ' ' GLU . 9.5 mtpm? -59.09 -52.63 64.91 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 122.873 0.469 . . . . 62.31 110.571 172.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.597 ' HD2' HG22 ' A' ' 109' ' ' THR . 76.1 mtt-85 -72.7 -23.16 60.83 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.239 0.616 . . . . 72.34 112.428 -178.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.8 mt -57.15 -55.51 33.85 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 109.932 -0.395 . . . . 71.2 109.932 169.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 124' ' ' GLU . 87.5 tttt -65.04 -40.87 95.4 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 124.138 0.899 . . . . 73.45 110.742 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 118' ' ' ARG . 29.6 tt0 -52.26 -51.56 57.73 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.959 1.304 . . . . 60.42 111.116 -178.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 107' ' ' ARG . 85.7 mt -79.49 -29.93 41.81 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.836 -1.075 . . . . 72.05 111.992 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 27.3 tp -69.56 -36.26 76.15 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.781 0.833 . . . . 42.25 112.141 -173.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.3 mt-10 -65.84 -31.75 72.88 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.487 0.715 . . . . 74.33 111.525 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.598 ' HD2' ' HA ' ' A' ' 129' ' ' LEU . 22.2 ttmm -109.19 3.98 22.39 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.293 0.637 . . . . 75.2 110.194 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 90.3 t 62.3 84.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.376 1.471 . . . . 75.14 112.482 172.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 56.01 19.32 22.35 Favored Glycine 0 C--N 1.355 1.606 0 N-CA-C 115.107 0.803 . . . . 73.15 115.107 173.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 74.1 p -147.45 148.53 31.36 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 108.14 -1.059 . . . . 64.42 108.14 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.598 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 41.6 tp -173.67 -64.99 0.02 OUTLIER 'General case' 0 C--O 1.239 0.528 0 O-C-N 124.032 0.833 . . . . 74.34 109.203 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 58.23 91.69 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 O-C-N 124.572 1.17 . . . . 63.1 110.775 -172.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.87 110.88 23.32 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 108.812 -0.81 . . . . 74.1 108.812 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -65.97 113.2 4.25 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 123.874 0.87 . . . . 75.13 110.037 -175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -159.38 -44.55 0.05 Allowed 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.193 0.597 . . . . 61.14 110.196 -174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 67.38 168.59 0.25 Allowed 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 124.818 1.247 . . . . 72.41 111.999 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -117.39 42.93 2.45 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.582 1.153 . . . . 74.42 108.476 175.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 49.4 t60 . . . . . 0 N--CA 1.478 0.974 0 C-N-CA 125.652 1.581 . . . . 61.43 108.152 -165.261 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.453 -0.202 . . . . 75.54 110.453 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.48 ' HA3' HD22 ' A' ' 78' ' ' LEU . . . -83.67 73.97 2.59 Favored Glycine 0 C--N 1.352 1.43 0 O-C-N 123.369 0.418 . . . . 64.53 112.444 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 79' ' ' ARG . 7.7 p -112.62 142.6 45.02 Favored 'General case' 0 C--O 1.244 0.791 0 C-N-CA 123.737 0.815 . . . . 73.31 109.387 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.7 t -120.18 112.73 37.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 N-CA-C 105.923 -1.88 . . . . 73.15 105.923 178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 16.9 m -114.42 112.22 39.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 108.732 -0.84 . . . . 74.41 108.732 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 HD13 HG22 ' A' ' 82' ' ' VAL . 3.8 mp -100.39 104.75 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 108.477 -0.934 . . . . 71.14 108.477 -174.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.31 107.71 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 108.647 -0.871 . . . . 71.1 108.647 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 HG22 ' HB ' ' A' ' 58' ' ' ILE . 38.5 t -108.64 141.15 24.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.141 0.977 . . . . 63.41 109.198 -179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.2 t -155.15 150.56 27.25 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.402 0.681 . . . . 52.31 109.201 177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -72.18 -30.64 65.16 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.454 0.701 . . . . 64.04 110.872 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -107.9 145.58 33.54 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.448 0.699 . . . . 72.52 110.175 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -81.8 -32.13 31.46 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.771 0.828 . . . . 73.23 111.729 -172.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HA ' ' HB2' ' A' ' 16' ' ' GLU . 32.4 mtm180 -71.86 -26.2 62.26 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 119.34 -0.362 . . . . 64.3 111.018 175.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.0 mm -70.7 -40.91 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.086 -0.709 . . . . 73.34 109.086 172.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.41 -36.7 81.03 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.516 0.326 . . . . 70.33 110.817 170.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 5.3 mm-40 -72.23 -42.75 65.34 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.448 0.699 . . . . 53.23 111.88 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.1 tt0 -68.67 -49.07 61.98 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.385 0.674 . . . . 74.01 109.587 -178.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.22 -28.09 69.8 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.784 -1.098 . . . . 62.34 110.93 175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 tp -62.92 -51.32 67.38 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 109.69 -0.485 . . . . 73.33 109.69 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 38.6 mt-10 -63.36 -30.77 71.85 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.192 -0.913 . . . . 74.43 111.161 -177.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.699 HG21 ' HG3' ' A' ' 116' ' ' LYS . 98.8 t -63.39 -46.88 94.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.331 0.652 . . . . 54.1 110.487 174.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.53 -38.47 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.164 0 CA-C-N 115.42 -0.809 . . . . 70.34 110.693 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 mp -73.02 -36.84 67.05 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.543 0.737 . . . . 63.53 112.962 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 62.3 pttt -77.78 -20.8 52.7 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 122.443 0.297 . . . . 72.1 110.536 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.2 t -83.22 -70.84 0.53 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.689 0.795 . . . . 74.31 109.365 175.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -133.96 93.22 20.63 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.975 0.91 . . . . 74.04 110.478 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.15 -10.01 20.81 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 122.687 2.258 . . . . 64.22 112.784 175.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -67.31 -28.76 68.26 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.269 0.628 . . . . 62.41 111.271 178.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.01 141.67 16.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.918 0.887 . . . . 73.35 110.008 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -72.81 90.33 1.42 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.156 0.583 . . . . 72.44 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.0 p -95.59 101.17 12.85 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 123.969 0.908 . . . . 44.12 110.431 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG11 ' HG3' ' A' ' 43' ' ' GLU . 59.5 t -124.91 121.58 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 CA-C-N 115.979 -0.555 . . . . 72.24 109.567 -174.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -97.25 105.48 17.64 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 108.722 -0.844 . . . . 71.41 108.722 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.5 t -155.49 133.1 11.15 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 108.653 -0.869 . . . . 72.11 108.653 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -93.39 -6.31 47.46 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.696 0.799 . . . . 73.34 110.612 173.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 24.0 t0 -63.85 108.06 1.37 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 123.647 0.779 . . . . 73.44 109.645 178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' HE2' HG13 ' A' ' 65' ' ' VAL . 35.1 ttmt -52.07 -48.15 64.8 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.385 1.474 . . . . 73.33 112.607 -169.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -67.69 -34.02 76.07 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 115.65 -0.704 . . . . 73.45 111.51 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 87.8 tttt -73.9 -40.41 63.18 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 123.269 0.355 . . . . 71.24 111.612 -177.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 36' ' ' ASP . 47.5 t -56.67 -41.65 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 CA-C-O 121.333 0.587 . . . . 74.13 110.154 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -65.99 -39.71 90.56 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 114.837 -1.074 . . . . 55.12 111.256 176.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.2 -38.57 83.71 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.46 -0.791 . . . . 65.53 110.099 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 13.7 mm-40 -69.75 -34.0 73.21 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.352 0.661 . . . . 71.3 111.058 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -59.47 -42.17 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 123.527 0.731 . . . . 74.43 110.781 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -69.95 -31.52 69.29 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 116.459 -0.337 . . . . 54.24 110.779 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.92 -36.57 83.73 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.741 0.417 . . . . 71.33 110.8 175.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' ' 54' ' ' ILE . . . -65.32 -52.59 53.04 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.647 0.779 . . . . 72.1 111.983 -177.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -63.02 -29.0 70.48 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 115.775 -0.648 . . . . 74.41 111.056 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -66.93 -45.15 78.76 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 122.918 0.487 . . . . 72.21 110.6 175.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.79 -20.24 62.61 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.441 0.696 . . . . 62.04 111.361 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.17 24.0 69.9 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.645 0.59 . . . . 70.43 112.266 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -124.75 159.01 60.36 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 124.316 1.046 . . . . 74.11 109.315 -173.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -63.57 177.01 1.88 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 122.126 1.884 . . . . 64.25 112.314 169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 56' ' ' ILE . 7.9 tt -142.08 137.33 30.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.725 -0.671 . . . . 74.33 109.771 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.8 t -119.15 108.53 24.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 N-CA-C 108.987 -0.746 . . . . 71.41 108.987 178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 54' ' ' ILE . 30.7 mm -99.93 124.0 53.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 109.58 -0.526 . . . . 74.15 109.58 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -97.08 115.99 28.48 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.139 0.495 . . . . 75.31 110.129 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' HG22 ' A' ' 8' ' ' VAL . 29.9 mm -119.32 152.18 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.788 1.235 . . . . 72.32 108.794 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HB3' ' CD2' ' A' ' 62' ' ' TYR . 59.3 ttt180 -95.04 151.24 19.35 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.393 -0.595 . . . . 75.23 109.393 172.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -50.26 -38.96 34.37 Favored Glycine 0 N--CA 1.48 1.574 0 N-CA-C 115.708 1.043 . . . . 75.13 115.708 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.47 83.45 Favored 'General case' 0 N--CA 1.485 1.286 0 CA-C-O 121.533 0.682 . . . . 74.52 111.054 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 59' ' ' ARG . 39.7 m-85 -72.88 -24.75 60.89 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.732 -1.122 . . . . 75.52 112.237 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HG3' HG21 ' A' ' 8' ' ' VAL . 32.2 tt0 -51.87 -26.75 10.73 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.217 1.192 . . . . 74.24 114.217 -169.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -54.29 -30.92 52.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 112.231 0.456 . . . . 75.13 112.231 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 ' HE2' ' A' ' 37' ' ' LYS . 62.4 t -60.69 -37.14 74.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 124.872 1.269 . . . . 74.4 111.737 173.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' O ' HG23 ' A' ' 70' ' ' VAL . 63.4 t -58.01 -33.04 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 123.816 0.846 . . . . 72.14 111.524 -177.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.461 ' HB2' ' CE1' ' A' ' 95' ' ' PHE . 33.3 ttp85 -54.48 -40.55 68.6 Favored 'General case' 0 N--CA 1.495 1.816 0 C-N-CA 123.423 0.689 . . . . 64.45 111.279 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -75.35 -33.85 61.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.06 -0.973 . . . . 52.43 110.537 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.6 mm -67.11 -35.96 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 C-N-CA 123.055 0.542 . . . . 60.11 110.707 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.639 HG11 HG21 ' A' ' 104' ' ' VAL . 42.3 t -55.29 -39.35 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.464 1.106 . . . . 64.43 110.449 177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.494 ' HG3' ' HE2' ' A' ' 75' ' ' LYS . 12.5 tp10 -59.62 -42.53 92.87 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.384 0.673 . . . . 75.55 110.884 179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -66.46 -44.34 83.04 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.01 0.524 . . . . 75.14 110.483 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.66 71.98 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.256 0.622 . . . . 62.31 111.08 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.83 -29.21 63.05 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.62 0.768 . . . . 73.03 111.61 175.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE2' ' HG3' ' A' ' 71' ' ' GLU . 68.9 mmtt -61.94 -48.11 81.89 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 121.556 0.693 . . . . 75.23 109.207 173.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -69.14 -21.74 63.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.761 -1.563 . . . . 73.44 111.136 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.04 23.27 72.17 Favored Glycine 0 C--N 1.352 1.469 0 O-C-N 123.568 0.543 . . . . 71.44 112.181 179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.48 HD22 ' HA3' ' A' ' 2' ' ' GLY . 82.6 mt -83.16 153.22 24.9 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 123.68 0.792 . . . . 73.22 110.175 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.607 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.78 121.58 19.18 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.622 -1.251 . . . . 71.15 107.622 178.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.493 HG11 HG22 ' A' ' 70' ' ' VAL . 10.5 t -107.16 120.77 59.05 Favored 'Isoleucine or valine' 0 C--O 1.243 0.715 0 N-CA-C 107.831 -1.174 . . . . 72.24 107.831 -174.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 20.8 tp -136.53 109.86 7.87 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 108.163 -1.051 . . . . 73.42 108.163 -178.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 6' ' ' ILE . 45.7 t -102.09 112.05 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 108.342 -0.985 . . . . 73.1 108.342 -179.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.477 HG12 ' HD3' ' A' ' 107' ' ' ARG . 51.4 mt -104.73 108.03 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.676 -0.861 . . . . 70.1 108.676 -177.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.571 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 3.0 pttm -125.04 140.67 52.7 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.118 0.567 . . . . 53.12 110.984 -178.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.9 t -87.42 107.05 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 115.621 -0.718 . . . . 74.13 109.734 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.39 -169.78 2.42 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.362 -0.836 . . . . 32.31 109.024 169.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -148.08 38.73 0.9 Allowed 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 107.981 -1.118 . . . . 62.42 107.981 169.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 61.23 89.73 0.07 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.109 0.964 . . . . 74.42 108.991 -167.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 92' ' ' LEU . 6.1 tm0? -133.18 118.63 18.89 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.524 -0.917 . . . . 73.52 108.524 -168.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -59.01 -54.35 48.15 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.952 1.301 . . . . 70.51 112.121 -171.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.27 -39.07 85.5 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.179 0.992 . . . . 74.23 111.281 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.508 ' HB3' ' HB3' ' A' ' 89' ' ' GLN . 5.8 tt -63.97 -32.38 73.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.306 -1.315 . . . . 65.42 111.257 -178.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.34 -30.85 71.88 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.464 0.706 . . . . 75.42 112.727 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 35.8 tpt85 -61.92 -47.42 84.98 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.316 0.385 . . . . 64.21 110.058 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.461 ' CE1' ' HB2' ' A' ' 67' ' ' ARG . 82.6 t80 -69.71 -45.58 67.89 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.307 -0.86 . . . . 74.4 110.321 178.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -54.74 -48.16 72.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.888 0.875 . . . . 71.44 110.735 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.54 -25.11 62.96 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.366 -0.379 . . . . 65.34 111.069 -175.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -52.86 63.67 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.328 0.651 . . . . 62.23 109.778 -179.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 5.7 mp -66.18 -43.62 86.34 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.535 0.522 . . . . 75.41 110.017 -176.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.66 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 4.8 mmpt? -61.75 -37.26 83.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.447 0.699 . . . . 75.03 111.725 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -70.83 -35.56 72.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.009 0.924 . . . . 73.43 110.413 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -66.52 -42.39 87.37 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.669 0.788 . . . . 74.21 110.13 172.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 140.31 -19.86 2.82 Favored Glycine 0 N--CA 1.468 0.821 0 CA-C-N 115.172 -0.922 . . . . 42.31 111.716 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.639 HG21 HG11 ' A' ' 70' ' ' VAL . 61.1 t -65.76 133.33 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.676 1.19 . . . . 53.35 111.193 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.66 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 11.5 m-20 -86.54 90.09 8.12 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.553 0.692 . . . . 62.02 110.612 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 p -92.62 140.23 16.62 Favored 'Isoleucine or valine' 0 C--O 1.243 0.729 0 N-CA-C 107.109 -1.441 . . . . 63.03 107.109 164.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 83' ' ' ILE . 15.5 ptm180 -136.11 139.6 43.08 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 123.604 0.762 . . . . 71.22 109.877 -175.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG12 ' HG3' ' A' ' 84' ' ' LYS . 33.8 m -120.13 125.57 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.441 -0.948 . . . . 72.32 108.441 175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 42.3 p -86.35 -19.28 30.01 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.464 0.705 . . . . 74.34 110.001 175.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 63.67 10.4 5.02 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.356 1.462 . . . . 53.32 112.249 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -155.21 129.08 8.67 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.768 0.827 . . . . 55.23 109.101 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -41.6 79.53 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.124 1.369 . . . . 71.12 112.79 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -75.28 -32.07 60.9 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.72 0.808 . . . . 65.44 111.551 -177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 117' ' ' LYS . 43.2 mt-10 -73.24 -29.68 62.94 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.09 0.556 . . . . 73.14 111.083 176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -70.65 -47.67 58.82 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.323 -0.621 . . . . 75.52 109.323 172.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.699 ' HG3' HG21 ' A' ' 21' ' ' VAL . 32.4 ttmt -51.65 -54.33 29.14 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.586 1.554 . . . . 74.14 112.296 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.577 ' HE2' ' HA ' ' A' ' 114' ' ' GLU . 0.1 OUTLIER -66.19 -37.5 85.76 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.899 -0.592 . . . . 71.43 110.555 -176.711 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 121' ' ' GLU . 0.0 OUTLIER -76.33 -27.52 56.54 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 123.573 0.749 . . . . 75.2 110.88 -174.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 22.4 mt -59.53 -52.21 66.54 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.277 0.631 . . . . 75.12 110.511 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -60.4 -41.04 93.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 123.992 0.808 . . . . 75.35 110.739 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 118' ' ' ARG . 14.9 mm-40 -55.16 -54.09 47.66 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.612 0.765 . . . . 74.51 111.09 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.677 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 91.1 mt -72.47 -31.76 65.68 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.099 -0.955 . . . . 52.5 110.433 -175.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 26.9 tp -68.67 -44.61 73.69 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.128 0.971 . . . . 73.24 111.592 -175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -59.27 -28.07 66.4 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.633 -0.712 . . . . 61.32 111.526 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -91.65 -88.9 0.19 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 108.856 -0.794 . . . . 72.31 108.856 169.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 2.1 m -155.85 -50.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 C-N-CA 124.14 0.976 . . . . 72.01 110.712 -176.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.677 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 138.67 110.55 0.94 Allowed Glycine 0 C--N 1.343 0.927 0 N-CA-C 111.268 -0.733 . . . . 74.34 111.268 -175.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.427 ' H ' HD22 ' A' ' 122' ' ' LEU . 41.2 p -142.95 -178.97 6.08 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.472 0.709 . . . . 52.24 111.276 -174.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 31.0 tp -131.61 140.59 49.45 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.604 0.762 . . . . 65.31 109.526 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -47.16 0.14 Allowed 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 115.25 -0.886 . . . . 72.33 111.099 -173.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -91.73 104.45 16.9 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 108.483 -0.932 . . . . 73.45 108.483 173.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -151.69 22.39 0.7 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.24 0.83 . . . . 74.03 113.24 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 21.5 p-80 -76.99 -11.4 59.8 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 112.184 0.439 . . . . 74.25 112.184 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -63.26 95.56 0.09 Allowed 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.109 0.964 . . . . 74.23 111.825 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -172.38 101.32 0.15 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.445 1.098 . . . . 73.34 109.111 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 CA--C 1.555 1.145 0 CA-C-O 119.005 -0.521 . . . . 74.53 110.298 173.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.741 -0.466 . . . . 73.34 109.741 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.06 81.51 1.17 Allowed Glycine 0 C--N 1.358 1.783 0 O-C-N 123.162 0.289 . . . . 74.11 112.429 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.416 HG23 ' HD2' ' A' ' 79' ' ' ARG . 11.4 m -123.41 143.76 49.92 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.49 0.716 . . . . 54.51 110.036 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.447 HG13 HG23 ' A' ' 54' ' ' ILE . 98.3 t -112.8 112.93 42.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 106.533 -1.654 . . . . 74.23 106.533 175.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.506 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 19.2 m -102.99 115.97 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-O 121.077 0.465 . . . . 74.34 110.219 -174.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mm -106.07 107.51 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 N-CA-C 108.859 -0.793 . . . . 63.35 108.859 -175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 119' ' ' LEU . 47.3 t -88.39 120.47 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.763 -0.458 . . . . 73.13 109.763 178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.439 HG11 ' HB2' ' A' ' 63' ' ' GLU . 60.9 t -121.75 142.53 37.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.617 -0.719 . . . . 62.23 109.508 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 t -152.78 153.94 34.17 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.04 -0.527 . . . . 64.13 110.122 176.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 87' ' ' GLN . 79.7 m-20 -80.34 3.22 21.81 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 115.475 -0.784 . . . . 71.11 111.029 176.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -132.63 138.05 47.23 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.008 0.923 . . . . 71.02 110.075 177.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' HE ' ' A' ' 59' ' ' ARG . 36.3 mt-10 -74.38 -36.18 63.53 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.129 0.972 . . . . 75.12 111.502 -176.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -69.75 -27.59 65.07 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 122.762 0.425 . . . . 73.42 111.89 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -65.0 -43.4 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 108.835 -0.802 . . . . 54.13 108.835 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.28 -35.09 79.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.36 0.664 . . . . 71.3 111.732 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 33.6 tt0 -73.48 -45.87 51.49 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.597 0.759 . . . . 74.42 110.528 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.11 -48.35 82.09 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.762 0.825 . . . . 74.41 110.276 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.16 -29.57 69.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.746 -1.115 . . . . 44.51 111.584 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -56.81 -48.3 78.29 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-O 121.412 0.625 . . . . 62.11 109.795 174.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 32.8 mt-10 -72.26 -30.87 65.26 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-N 114.132 -1.395 . . . . 64.22 110.854 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 81.9 t -58.32 -39.07 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 O-C-N 123.624 0.577 . . . . 73.23 110.362 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG13 HD21 ' A' ' 123' ' ' LEU . 69.0 t -74.13 -46.72 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.033 0.533 . . . . 75.24 110.471 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 77.8 mt -55.29 -53.28 58.09 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 124.215 0.947 . . . . 74.44 111.762 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.98 -27.74 63.93 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.275 0.63 . . . . 75.01 111.219 -174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.7 t -68.65 -57.38 5.78 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.416 0.686 . . . . 74.32 110.362 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -163.48 121.19 1.23 Allowed Pre-proline 0 CA--C 1.556 1.205 0 O-C-N 123.706 0.629 . . . . 74.43 111.284 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -77.42 -6.58 16.44 Favored 'Trans proline' 0 C--N 1.379 2.157 0 C-N-CA 123.328 2.686 . . . . 42.34 115.614 -178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -66.83 -39.87 87.8 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 118.68 0.673 . . . . 54.23 109.902 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG21 ' HG ' ' A' ' 123' ' ' LEU . 17.5 t -70.38 108.94 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 114.64 -1.164 . . . . 52.14 109.231 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -67.12 120.18 13.28 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 123.599 0.562 . . . . 74.24 111.585 -172.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.4 p -95.48 117.53 30.55 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.422 0.689 . . . . 73.34 110.431 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG21 ' HG3' ' A' ' 43' ' ' GLU . 60.3 t -127.43 113.24 30.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 107.968 -1.123 . . . . 63.32 107.968 171.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -114.22 105.59 13.35 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.731 -0.84 . . . . 73.12 108.731 174.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' ' 39' ' ' LYS . 11.1 t 178.31 138.76 0.09 Allowed 'General case' 0 C--O 1.245 0.82 0 C-N-CA 124.548 1.139 . . . . 72.53 109.636 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.47 86.55 7.05 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.237 -1.394 . . . . 64.23 107.237 161.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.415 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 15.7 t70 -116.44 -9.1 11.52 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.144 -0.934 . . . . 72.54 109.298 173.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HG2' HG11 ' A' ' 65' ' ' VAL . 69.3 mttt 65.77 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.362 1.127 0 C-N-CA 125.729 1.612 . . . . 73.42 111.133 177.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -61.96 -34.65 76.51 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.882 1.273 . . . . 74.24 112.605 -174.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 65.2 tttp -60.01 -37.4 79.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.367 0.667 . . . . 75.54 110.883 175.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 44' ' ' ILE . 47.6 t -63.57 -36.6 76.99 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-N 116.478 -0.328 . . . . 71.34 110.878 -178.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 1.5 mptm? -64.22 -46.38 84.11 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 123.442 0.697 . . . . 73.32 111.444 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 12.4 pt-20 -64.64 -31.77 73.14 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.498 0.499 . . . . 72.31 110.259 -178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 32.5 mm-40 -74.19 -29.27 61.67 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 122.985 0.514 . . . . 61.43 111.79 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 73' ' ' ALA . 95.3 mt -66.39 -50.44 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 123.797 0.839 . . . . 61.34 111.127 179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -62.24 -31.83 72.43 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 116.011 -0.54 . . . . 62.1 111.06 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -70.31 -39.05 75.02 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.22 0.608 . . . . 73.32 110.967 176.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.87 -50.83 71.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.534 0.734 . . . . 72.01 112.035 -175.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' HB3' HD11 ' A' ' 78' ' ' LEU . 37.0 ptt85 -68.33 -42.69 78.95 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 115.744 -0.662 . . . . 74.31 112.229 -172.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -68.16 -29.81 68.78 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-O 120.879 0.371 . . . . 75.13 110.831 -179.513 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 20.9 tp60 -83.27 -15.12 51.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.694 0.798 . . . . 72.23 110.653 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.67 33.37 55.88 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 123.69 0.619 . . . . 63.32 112.701 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.3 ppt_? -136.86 144.44 46.68 Favored Pre-proline 0 N--CA 1.473 0.678 0 C-N-CA 123.467 0.707 . . . . 74.5 109.933 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' HG2' HG13 ' A' ' 29' ' ' VAL . 83.8 Cg_endo -76.67 -179.58 5.49 Favored 'Trans proline' 0 C--N 1.372 1.789 0 C-N-CA 121.973 1.782 . . . . 74.42 111.521 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.447 HG23 HG13 ' A' ' 4' ' ' VAL . 13.5 tt -149.03 135.24 12.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.437 -173.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.3 t -113.37 117.8 56.4 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 C-N-CA 123.842 0.857 . . . . 71.01 109.438 -178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.8 mm -111.05 120.94 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 123.476 0.711 . . . . 73.51 109.9 -176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -100.48 110.17 22.34 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 122.845 0.458 . . . . 73.13 110.609 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 38.1 mm -118.56 144.99 25.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.15 1.38 . . . . 64.31 108.49 178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.488 ' HE ' ' HG2' ' A' ' 12' ' ' GLU . 28.1 ttm180 -84.38 153.83 23.21 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 109.402 -0.592 . . . . 72.13 109.402 177.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.66 -29.91 67.93 Favored Glycine 0 N--CA 1.477 1.422 0 N-CA-C 115.346 0.898 . . . . 74.44 115.346 -169.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.92 -37.34 64.65 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.441 0.639 . . . . 60.12 110.145 178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -73.88 -24.84 59.79 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 114.436 -1.256 . . . . 64.25 111.595 177.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HB2' HG11 ' A' ' 8' ' ' VAL . 44.2 tt0 -49.25 -26.51 3.03 Favored 'General case' 0 N--CA 1.491 1.601 0 C-N-CA 124.586 1.154 . . . . 65.32 113.338 -169.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.37 -27.28 46.37 Favored 'General case' 0 CA--C 1.573 1.848 0 C-N-CA 122.915 0.486 . . . . 52.53 112.224 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.526 HG11 ' HG2' ' A' ' 37' ' ' LYS . 48.7 t -67.06 -34.22 68.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 C-N-CA 124.351 1.06 . . . . 64.45 112.228 173.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 70' ' ' VAL . 68.1 t -52.82 -35.18 21.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 CA-C-O 118.047 -0.978 . . . . 75.3 112.771 -171.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 95' ' ' PHE . 9.3 ttp180 -63.77 -32.93 74.6 Favored 'General case' 0 N--CA 1.498 1.928 0 CA-C-N 119.518 1.054 . . . . 64.13 111.093 -178.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -70.28 -44.37 68.52 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.28 1.032 . . . . 72.33 110.192 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.416 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 86.1 mt -57.92 -41.63 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.596 1.158 . . . . 71.54 110.781 172.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.7 HG22 HG11 ' A' ' 80' ' ' VAL . 25.4 t -65.61 -46.21 90.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 CA-C-N 114.649 -1.159 . . . . 75.15 109.743 -177.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 36.6 tt0 -59.2 -43.85 92.24 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.472 1.107 . . . . 63.23 110.096 -176.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -53.6 -56.51 16.58 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.008 0.817 . . . . 54.41 109.784 175.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -60.95 -34.47 74.77 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 123.972 0.795 . . . . 55.45 111.693 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -70.94 -35.53 72.25 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.856 0.862 . . . . 74.44 109.777 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 31.7 mmtp -76.63 -25.35 53.74 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.177 0.591 . . . . 53.35 110.6 175.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -71.52 -2.84 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.82 0.848 . . . . 73.54 111.465 173.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 79.53 31.37 41.3 Favored Glycine 0 C--N 1.353 1.487 0 N-CA-C 111.595 -0.602 . . . . 71.31 111.595 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 48' ' ' ARG . 75.4 mt -115.39 133.61 55.87 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.773 0.829 . . . . 64.53 109.907 -178.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.416 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.43 129.74 39.55 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 107.246 -1.39 . . . . 74.24 107.246 171.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 70' ' ' VAL . 13.6 t -110.73 136.13 47.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.712 -0.847 . . . . 65.3 108.712 -178.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD11 ' HG3' ' A' ' 107' ' ' ARG . 26.5 tp -136.16 108.23 7.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.434 1.094 . . . . 71.42 108.106 -174.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.584 HG21 HD13 ' A' ' 99' ' ' LEU . 17.7 m -95.43 116.79 37.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 N-CA-C 109.17 -0.678 . . . . 73.11 109.17 -178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 62.6 mt -96.85 105.18 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 106.681 -1.6 . . . . 72.51 106.681 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.57 131.7 38.21 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.413 0.625 . . . . 70.33 111.448 -163.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.641 HG12 ' HG2' ' A' ' 87' ' ' GLN . 57.4 t -86.44 124.82 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.569 1.148 . . . . 74.04 109.191 -176.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 89' ' ' GLN . . . -67.78 -72.07 0.19 Allowed 'General case' 0 C--N 1.352 0.677 0 C-N-CA 123.759 0.823 . . . . 70.31 111.668 -172.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.641 ' HG2' HG12 ' A' ' 85' ' ' VAL . 13.7 mm-40 56.64 -76.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.358 1.463 . . . . 61.33 111.86 -176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -56.44 -53.19 60.31 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.016 1.327 . . . . 75.45 111.118 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.436 ' HG2' ' HB1' ' A' ' 86' ' ' ALA . 44.0 mt-30 74.11 -52.07 0.69 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 125.61 1.564 . . . . 54.12 112.78 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -74.2 -58.25 3.42 Favored 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 113.413 0.894 . . . . 74.14 113.413 -165.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 mt -74.22 -29.69 61.83 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.593 0.711 . . . . 73.15 109.172 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tt -62.96 -37.58 87.67 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 113.892 -1.504 . . . . 71.33 111.119 174.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 7.4 tm-20 -61.38 -35.0 76.28 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.088 0.955 . . . . 74.41 110.721 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -54.76 -49.25 71.31 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.86 0.864 . . . . 63.13 111.496 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 72.7 t80 -78.82 -36.45 42.59 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.379 -0.828 . . . . 74.24 111.122 179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.465 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 5.0 t80 -55.71 -46.03 77.78 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 125.026 1.33 . . . . 75.32 111.966 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.12 -43.32 92.38 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.868 0.73 . . . . 73.0 110.193 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -38.02 77.9 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.495 1.122 . . . . 73.24 111.228 -177.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.584 HD13 HG21 ' A' ' 82' ' ' VAL . 59.7 mt -58.37 -53.53 57.25 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.346 0.658 . . . . 75.13 110.718 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 106' ' ' VAL . 2.6 mtpt -67.6 -28.35 67.68 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 115.814 -0.63 . . . . 64.24 111.64 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -79.77 -25.24 41.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.589 0.756 . . . . 61.35 110.116 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -82.34 0.51 41.38 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.839 0.855 . . . . 75.53 111.864 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 80.36 43.8 9.2 Favored Glycine 0 C--N 1.345 1.03 0 O-C-N 123.219 0.325 . . . . 40.22 112.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.494 HG21 HG11 ' A' ' 70' ' ' VAL . 39.3 t -119.7 146.66 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 123.86 0.864 . . . . 53.33 109.714 -178.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -86.28 137.69 32.42 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 109.483 -0.562 . . . . 64.14 109.483 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.572 HG22 ' HD2' ' A' ' 100' ' ' LYS . 4.1 m -134.78 144.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 109.411 -0.589 . . . . 74.4 109.411 -179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 81' ' ' LEU . 52.7 mtt180 -125.82 110.76 14.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.727 0.811 . . . . 70.03 109.343 171.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.0 m -85.43 128.24 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 108.577 -0.897 . . . . 74.02 108.577 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.2 p -108.13 -54.08 2.55 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-N 115.765 -0.652 . . . . 61.31 110.05 -175.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.9 t70 70.94 -60.21 0.52 Allowed 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 125.185 1.394 . . . . 60.31 111.389 177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.475 HD22 ' HG2' ' A' ' 114' ' ' GLU . 31.4 t30 -65.32 125.88 26.47 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.924 0.89 . . . . 72.1 109.111 163.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.79 -24.74 66.23 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.222 0.609 . . . . 74.12 111.494 -177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.412 ' HB3' HD21 ' A' ' 111' ' ' ASN . 26.3 t70 -66.75 -42.77 85.66 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.531 0.732 . . . . 73.14 110.064 176.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 118' ' ' ARG . 56.2 mm-40 -60.64 -40.62 92.62 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 124.116 0.885 . . . . 74.12 110.886 176.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.77 -36.89 78.89 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.398 0.679 . . . . 71.41 111.584 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -68.58 -51.3 44.12 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.459 1.104 . . . . 65.35 110.621 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -30.98 68.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 115.105 -0.952 . . . . 54.45 111.242 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.506 ' HB2' ' O ' ' A' ' 114' ' ' GLU . 0.0 OUTLIER -59.59 -40.36 87.18 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.242 0.964 . . . . 61.51 110.537 -176.025 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.585 HD11 HG21 ' A' ' 7' ' ' VAL . 73.8 mt -67.0 -53.92 26.7 Favored 'General case' 0 C--O 1.224 -0.285 0 O-C-N 123.773 0.671 . . . . 73.43 111.549 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.16 -34.55 73.72 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 123.533 0.52 . . . . 74.5 110.391 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -67.17 -55.51 13.83 Favored 'General case' 0 C--N 1.349 0.565 0 C-N-CA 123.539 0.736 . . . . 73.15 110.987 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.649 HD22 ' HA ' ' A' ' 128' ' ' SER . 68.2 mt -69.16 -27.42 65.52 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.776 -0.647 . . . . 75.22 110.69 -173.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.685 HD21 HG13 ' A' ' 22' ' ' VAL . 6.0 mp -60.52 -35.47 76.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.559 0.744 . . . . 62.31 111.386 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 125' ' ' LYS . 37.6 mt-10 -61.49 -48.32 81.62 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 109.492 -0.558 . . . . 74.05 109.492 174.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 124' ' ' GLU . 11.2 mptt -77.28 -13.41 59.94 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.303 1.041 . . . . 71.34 111.318 -178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.8 t 59.94 75.45 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.922 0 C-N-CA 125.047 1.339 . . . . 64.45 109.367 -171.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.86 -59.19 0.42 Allowed Glycine 0 CA--C 1.529 0.952 0 CA-C-N 114.912 -1.04 . . . . 73.3 114.166 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.649 ' HA ' HD22 ' A' ' 122' ' ' LEU . 34.9 p -173.93 -57.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 C-N-CA 122.889 0.476 . . . . 64.13 111.669 -174.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 14.8 tp 58.4 31.28 20.75 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 125.2 1.4 . . . . 75.54 111.755 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 54.15 47.6 22.83 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.246 1.418 . . . . 72.44 114.44 170.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 69.2 t60 71.07 -4.65 1.72 Allowed 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.617 0.969 . . . . 74.43 113.617 164.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 63.1 m170 62.61 -171.93 0.16 Allowed 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.597 1.159 . . . . 73.21 111.963 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -81.68 77.25 8.55 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.089 -0.708 . . . . 72.23 109.089 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -136.22 88.41 2.38 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 123.256 0.622 . . . . 75.45 109.613 -176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -54.51 105.75 0.17 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.12 0.968 . . . . 75.42 110.359 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 7.7 t60 . . . . . 0 CA--C 1.558 1.279 0 C-N-CA 124.972 1.309 . . . . 54.22 109.526 -171.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' HG11 ' A' ' 126' ' ' VAL . 77.1 mtp . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 110.214 -0.291 . . . . 72.14 110.214 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.99 36.33 52.13 Favored Glycine 0 C--N 1.35 1.329 0 N-CA-C 111.98 -0.448 . . . . 62.54 111.98 -173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.7 m -66.07 137.59 57.18 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.8 0.84 . . . . 62.42 110.727 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.76 112.17 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 106.5 -1.667 . . . . 74.15 106.5 -175.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.625 HG12 ' HB3' ' A' ' 81' ' ' LEU . 14.4 m -116.42 111.2 34.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 109.002 -0.74 . . . . 71.2 109.002 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.561 HD13 HG22 ' A' ' 82' ' ' VAL . 3.6 mp -101.27 110.16 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.666 -0.646 . . . . 74.3 109.4 -171.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.4 t -88.83 118.3 33.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.336 -0.616 . . . . 64.11 109.336 175.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.573 HG21 ' HG3' ' A' ' 63' ' ' GLU . 60.9 t -123.19 148.51 27.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.546 0 C-N-CA 124.215 1.006 . . . . 74.53 109.299 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.0 t -156.1 166.09 34.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.521 0.728 . . . . 71.52 109.897 177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.7 p30 -85.9 5.33 33.42 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.49 -0.777 . . . . 60.14 111.338 176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.05 150.02 32.07 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 120.927 0.394 . . . . 75.03 111.984 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -83.54 -31.52 26.35 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.77 1.228 . . . . 74.42 111.202 -172.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.16 -26.97 61.39 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 110.257 -0.275 . . . . 72.5 110.257 175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mm -75.33 -39.01 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 N-CA-C 109.794 -0.447 . . . . 70.1 109.794 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.37 -39.29 90.08 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.3 -0.409 . . . . 60.03 110.1 170.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -73.39 -39.54 65.02 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.434 0.694 . . . . 43.04 110.925 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 21' ' ' VAL . 13.9 tp10 -59.63 -51.24 70.67 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 124.311 1.044 . . . . 73.23 109.477 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 22' ' ' VAL . 8.5 mp -71.06 -29.72 65.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 114.17 -1.377 . . . . 72.21 110.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 65.5 tp -64.18 -48.19 76.9 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.113 0.565 . . . . 64.14 110.706 178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -70.92 -28.02 64.21 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 124.155 0.909 . . . . 64.33 111.288 -175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.702 HG21 ' HG3' ' A' ' 116' ' ' LYS . 83.9 t -63.97 -39.74 86.53 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 C-N-CA 122.925 0.49 . . . . 64.0 110.484 169.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.549 HG13 HD21 ' A' ' 123' ' ' LEU . 97.5 t -72.71 -41.3 62.29 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.156 0 C-N-CA 123.458 0.703 . . . . 72.23 110.506 177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD23 HG21 ' A' ' 31' ' ' THR . 83.7 mt -63.38 -51.41 65.96 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.562 0.745 . . . . 74.44 111.545 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -66.77 -31.76 72.61 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 115.616 -0.72 . . . . 75.15 110.851 -174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -71.97 -60.36 2.27 Favored 'General case' 0 C--O 1.242 0.663 0 O-C-N 123.677 0.611 . . . . 60.32 110.07 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' HB2' HD23 ' A' ' 123' ' ' LEU . 11.7 m-20 -142.04 113.33 6.32 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 123.354 0.662 . . . . 43.13 110.738 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.52 -14.41 33.64 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 123.013 2.475 . . . . 54.1 111.245 162.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -66.68 -34.06 77.02 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.744 1.618 . . . . 72.44 111.998 -176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.605 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.2 t -81.02 128.33 38.81 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 N-CA-C 109.015 -0.735 . . . . 73.31 109.015 178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -61.85 89.52 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.431 1.092 . . . . 74.43 111.71 -175.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.477 HG21 HD23 ' A' ' 23' ' ' LEU . 68.0 p -81.39 110.27 16.66 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.51 0.724 . . . . 75.34 109.847 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.2 t -115.1 131.74 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.635 1.174 . . . . 71.44 108.907 -173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -121.82 94.09 4.2 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 106.72 -1.585 . . . . 60.35 106.72 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.3 m -156.76 121.44 4.51 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.707 0.803 . . . . 62.13 110.672 -167.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -112.13 12.95 20.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.047 0.939 . . . . 73.41 110.4 171.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -69.64 -2.54 11.94 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.308 1.043 . . . . 73.13 112.382 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt 71.07 -77.36 0.06 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 125.292 1.437 . . . . 75.42 111.481 171.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -61.17 -34.33 74.87 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.849 0.859 . . . . 75.44 111.807 -176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -65.36 -36.71 84.82 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.294 0.638 . . . . 74.41 111.273 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 44' ' ' ILE . 88.7 t -58.07 -53.07 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 109.275 -0.639 . . . . 64.31 109.275 177.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -59.9 -38.24 81.71 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.101 0.96 . . . . 70.15 112.012 178.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -61.25 -53.85 51.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.003 0.921 . . . . 74.33 109.685 -176.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -78.02 -19.69 53.91 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.539 0.94 . . . . 61.24 113.539 -176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 40' ' ' VAL . 23.4 mt -52.09 -36.96 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 CA-C-N 117.89 0.314 . . . . 75.53 111.101 170.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -55.13 -43.35 74.06 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 122.962 0.505 . . . . 70.43 111.276 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -61.59 -40.91 96.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.358 0.663 . . . . 74.12 111.549 177.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.62 -50.93 61.38 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.546 0.738 . . . . 75.15 111.433 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -70.77 -28.67 64.85 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 122.949 0.5 . . . . 75.14 111.571 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -55.0 -47.88 74.05 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 124.199 1.0 . . . . 74.43 110.327 174.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -80.88 -25.74 37.38 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 114.005 -1.452 . . . . 74.11 110.988 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.47 16.48 75.77 Favored Glycine 0 C--N 1.348 1.201 0 CA-C-N 116.41 -0.359 . . . . 75.34 112.354 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -97.94 137.12 20.89 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 123.86 0.864 . . . . 72.32 109.065 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -57.0 153.14 39.83 Favored 'Trans proline' 0 C--N 1.378 2.119 0 C-N-CA 122.9 2.4 . . . . 72.1 113.341 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 14.3 tt -127.15 117.79 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 123.447 0.699 . . . . 74.3 109.525 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -96.8 130.33 45.57 Favored 'Isoleucine or valine' 0 C--N 1.347 0.481 0 C-N-CA 123.199 0.599 . . . . 42.33 109.539 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' HB ' HG23 ' A' ' 6' ' ' ILE . 34.1 mm -112.37 116.57 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 109.133 -0.692 . . . . 73.01 109.133 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 46.4 m-85 -101.81 110.72 22.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.992 0.917 . . . . 74.52 110.082 -178.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 3.3 pt -146.69 160.34 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.434 1.093 . . . . 61.12 110.751 -179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.28 166.61 15.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.816 0.846 . . . . 61.21 109.622 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.16 -29.45 52.36 Favored Glycine 0 C--N 1.35 1.308 0 N-CA-C 114.846 0.698 . . . . 70.3 114.846 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.29 29.57 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 121.517 0.675 . . . . 71.15 110.007 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.502 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 26.3 m-85 -63.24 -25.49 68.35 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 114.294 -1.321 . . . . 74.32 112.273 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' HG3' HG21 ' A' ' 8' ' ' VAL . 75.8 tt0 -54.28 -26.18 27.7 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.862 0.865 . . . . 71.52 112.681 177.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -52.25 -36.6 52.98 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.331 0.652 . . . . 70.12 111.471 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.8 t -59.99 -34.18 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 C-N-CA 124.854 1.261 . . . . 72.33 112.294 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.583 ' HB ' ' HZ ' ' A' ' 95' ' ' PHE . 61.3 t -54.14 -41.07 49.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 CA-C-O 118.791 -0.623 . . . . 73.15 112.461 -173.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -59.69 -36.3 76.2 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 118.229 0.468 . . . . 71.33 110.486 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -71.73 -36.45 70.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.795 0.838 . . . . 73.31 110.605 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.94 -32.76 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 124.002 0.921 . . . . 71.32 110.35 174.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.768 HG22 HG11 ' A' ' 80' ' ' VAL . 74.6 t -68.91 -43.09 82.56 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 C-N-CA 123.799 0.84 . . . . 73.43 109.342 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.75 -38.7 75.82 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 124.04 0.837 . . . . 45.33 110.539 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.61 -53.77 49.65 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.233 -0.894 . . . . 74.11 110.496 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.44 69.44 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.99 0.916 . . . . 74.45 112.596 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.538 HE21 HG12 ' A' ' 70' ' ' VAL . 76.8 mt-30 -63.14 -45.63 91.03 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.611 0.764 . . . . 75.14 110.8 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -11.81 59.61 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 116.618 -0.265 . . . . 63.53 111.254 178.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -80.06 -24.38 40.71 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.152 0.581 . . . . 75.32 111.05 171.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.33 65.1 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 116.068 -0.514 . . . . 70.43 112.574 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.99 147.86 25.56 Favored 'General case' 0 C--O 1.242 0.703 0 C-N-CA 123.812 0.845 . . . . 61.25 111.329 -177.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 138.31 32.54 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 107.272 -1.381 . . . . 75.24 107.272 171.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 70' ' ' VAL . 45.6 t -121.15 135.6 60.79 Favored 'Isoleucine or valine' 0 C--O 1.243 0.725 0 N-CA-C 107.909 -1.145 . . . . 53.32 107.909 -177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 5' ' ' VAL . 15.2 tp -136.48 106.5 6.31 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.014 -1.476 . . . . 71.43 107.014 -177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.561 HG22 HD13 ' A' ' 6' ' ' ILE . 56.2 t -99.08 109.93 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 CA-C-O 121.217 0.532 . . . . 73.54 109.649 -175.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.0 mt -102.22 110.5 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.618 1.167 . . . . 74.32 108.139 -176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.628 ' HG3' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -134.06 141.9 47.37 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.575 0.702 . . . . 74.13 110.852 -178.606 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.554 HG12 ' HG2' ' A' ' 87' ' ' GLN . 93.9 t -84.39 112.09 21.12 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 CA-C-N 114.286 -1.324 . . . . 75.1 108.331 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -68.32 -57.39 6.0 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.016 0.822 . . . . 71.42 111.176 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 85' ' ' VAL . 15.8 mm100 57.68 -80.44 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.652 1.181 . . . . 74.53 109.006 -168.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -172.13 89.43 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.523 1.129 . . . . 52.42 108.343 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 15.8 mm100 -122.65 123.07 40.3 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.155 0.982 . . . . 71.3 108.855 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.46 -53.11 20.85 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.419 0.688 . . . . 71.32 110.775 -178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 92' ' ' LEU . 1.1 pp -55.41 -26.41 41.51 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.827 1.251 . . . . 65.23 113.167 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.628 HD11 ' HG3' ' A' ' 84' ' ' LYS . 11.1 tp -59.23 -38.23 79.47 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.258 1.023 . . . . 73.14 112.031 -176.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -65.23 -40.48 94.14 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.474 1.109 . . . . 72.41 112.556 -171.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -67.81 -33.33 74.58 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 120.824 0.345 . . . . 64.32 110.923 -178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.583 ' HZ ' ' HB ' ' A' ' 66' ' ' VAL . 78.2 t80 -74.73 -48.28 26.63 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 115.892 -0.594 . . . . 64.15 110.203 178.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' O ' ' HG2' ' A' ' 100' ' ' LYS . 12.2 t80 -52.17 -46.04 65.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.253 1.021 . . . . 74.31 110.325 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -71.24 -37.04 72.01 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.509 1.124 . . . . 75.45 110.714 -175.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -57.36 -45.32 84.51 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.911 0.884 . . . . 75.41 111.755 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.478 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 8.4 mp -68.1 -29.48 68.42 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.253 0.621 . . . . 73.52 111.433 -176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -66.46 -28.7 68.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 123.178 0.591 . . . . 71.43 110.977 178.223 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.54 -46.8 74.94 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.658 0.783 . . . . 54.22 110.034 173.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.64 -19.93 65.27 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 114.457 -1.247 . . . . 63.52 111.428 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.52 12.33 59.75 Favored Glycine 0 N--CA 1.474 1.208 0 CA-C-N 116.336 -0.393 . . . . 73.24 112.678 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.704 HG21 HG11 ' A' ' 70' ' ' VAL . 60.7 t -77.11 134.04 29.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 C-N-CA 124.765 1.226 . . . . 73.14 110.554 -177.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.43 135.13 36.59 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 123.886 0.741 . . . . 63.45 109.339 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' A' ' 82' ' ' VAL . 27.8 m -127.41 141.91 45.03 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 108.702 -0.851 . . . . 74.22 108.702 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -106.43 106.51 17.06 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 108.761 -0.829 . . . . 73.32 108.761 171.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.53 117.35 35.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.509 -1.293 . . . . 71.21 107.509 167.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.543 HG21 ' HA ' ' A' ' 115' ' ' ALA . 62.9 p -103.42 -18.35 14.85 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.43 0.692 . . . . 61.21 110.496 -179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 48.5 m-20 72.19 -66.5 0.3 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.9 1.68 . . . . 70.04 111.464 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -82.38 142.42 32.0 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.479 0.712 . . . . 72.34 110.032 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -60.11 -41.13 91.9 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 125.496 1.519 . . . . 62.41 112.3 176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -67.81 -32.06 72.36 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.791 1.236 . . . . 74.31 111.388 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -67.64 -44.86 76.93 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.745 0.818 . . . . 72.33 110.837 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.543 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -60.88 -40.58 93.53 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.72 0.808 . . . . 45.43 112.064 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.702 ' HG3' HG21 ' A' ' 21' ' ' VAL . 27.0 ttmt -50.86 -46.93 60.46 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.689 1.595 . . . . 74.25 112.034 178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -72.33 -39.2 68.35 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 114.436 -1.257 . . . . 74.21 111.203 -173.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -35.66 78.61 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.214 -0.903 . . . . 72.14 110.659 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 51.6 mt -57.96 -50.23 74.09 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.718 0.807 . . . . 72.41 112.173 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.79 -41.43 91.13 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.641 0.588 . . . . 54.23 110.878 -177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -64.62 -34.53 78.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.726 0.81 . . . . 70.14 111.274 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.577 HD21 ' HB2' ' A' ' 129' ' ' LEU . 96.9 mt -71.53 -29.93 65.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.663 0.785 . . . . 64.12 111.415 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.605 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.6 mp -74.15 -33.18 63.42 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.894 0.478 . . . . 54.32 110.513 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.31 -25.08 63.15 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.486 0.714 . . . . 73.32 110.505 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -103.05 -162.06 0.89 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.927 1.291 . . . . 63.3 109.376 173.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.462 HG11 ' HG2' ' A' ' 1' ' ' MET . 16.9 t -102.86 46.84 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-O 121.972 0.891 . . . . 73.42 109.383 174.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.54 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 56.22 43.26 89.17 Favored Glycine 0 N--CA 1.473 1.14 0 CA-C-N 114.963 -1.017 . . . . 54.54 113.814 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.0 t -121.1 -65.12 1.17 Allowed 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 112.066 0.395 . . . . 61.0 112.066 -171.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.577 ' HB2' HD21 ' A' ' 122' ' ' LEU . 16.0 tp 68.74 165.66 0.25 Allowed 'General case' 0 N--CA 1.499 1.995 0 C-N-CA 125.058 1.343 . . . . 73.5 110.707 -173.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.05 169.83 14.53 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.105 0.562 . . . . 63.14 110.763 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -85.65 11.18 11.38 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 123.921 0.888 . . . . 74.24 111.016 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -67.95 111.07 4.17 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.599 0.76 . . . . 75.12 111.347 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 43.0 t-80 -172.38 -30.65 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.626 1.57 . . . . 72.24 109.271 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.5 m80 72.33 -168.59 0.13 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.354 1.462 . . . . 73.23 108.897 -161.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -95.2 -81.22 0.4 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 107.972 -1.122 . . . . 74.33 107.972 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.305 1.442 . . . . 72.14 107.541 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.485 -0.561 . . . . 72.35 109.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.9 158.7 9.46 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.022 -0.431 . . . . 65.25 112.022 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.2 p -94.69 154.08 17.49 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.525 -0.546 . . . . 71.35 109.525 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.07 114.73 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 106.732 -1.581 . . . . 61.43 106.732 -178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 17.6 m -121.53 113.77 40.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 123.505 0.722 . . . . 51.54 109.119 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.17 114.97 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 109.213 -0.662 . . . . 55.13 109.213 -172.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.53 HG22 HD21 ' A' ' 119' ' ' LEU . 90.1 t -86.54 110.5 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.22 -0.659 . . . . 75.23 109.22 177.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 84' ' ' LYS . 57.5 t -107.11 139.83 27.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 124.757 1.223 . . . . 72.52 108.719 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 80.2 p -167.79 142.15 3.58 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.936 0.895 . . . . 73.5 108.628 170.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.69 -30.6 68.29 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.236 0.614 . . . . 74.12 110.961 -178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -89.94 142.0 28.12 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-O 121.208 0.528 . . . . 74.44 111.291 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -67.5 -44.53 78.25 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.051 1.34 . . . . 64.44 111.16 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' H ' ' HD2' ' A' ' 13' ' ' ARG . 1.8 mpt_? -74.47 -25.14 59.2 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.577 -0.738 . . . . 54.35 111.4 -169.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.41 -47.17 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 109.345 -0.613 . . . . 62.31 109.345 169.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.9 mt -58.51 -39.84 81.21 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.049 0.54 . . . . 72.31 111.736 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -70.33 -46.58 63.89 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.832 0.853 . . . . 74.44 111.549 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' O ' HG23 ' A' ' 21' ' ' VAL . 9.2 tp10 -55.98 -52.05 65.54 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.25 1.02 . . . . 53.43 110.339 175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 22' ' ' VAL . 5.8 mp -66.96 -33.55 75.81 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 114.579 -1.191 . . . . 74.43 111.046 -176.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 29.4 tp -58.21 -53.14 61.61 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.311 0.644 . . . . 63.42 110.513 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.66 -30.63 71.36 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.441 -1.254 . . . . 61.42 111.125 -175.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.67 HG21 ' HG3' ' A' ' 116' ' ' LYS . 84.3 t -65.86 -38.93 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.363 0.665 . . . . 72.24 110.983 175.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.597 HG13 HD21 ' A' ' 123' ' ' LEU . 60.3 t -68.85 -47.82 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 122.857 0.463 . . . . 73.21 109.862 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.58 -33.16 72.31 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.359 0.664 . . . . 65.23 111.489 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.43 -44.29 58.59 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.859 0.864 . . . . 74.24 111.108 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.3 t -68.0 -31.14 70.63 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 115.539 -0.755 . . . . 75.33 111.104 -177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -163.17 125.15 1.6 Allowed Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 109.642 -0.503 . . . . 64.34 109.642 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -79.26 -19.07 10.72 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.821 2.348 . . . . 71.42 114.27 -174.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -109.43 -2.93 17.4 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 112.426 0.528 . . . . 75.54 112.426 -172.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 53' ' ' PRO . 70.6 t -67.95 115.35 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 108.733 -0.839 . . . . 62.05 108.733 169.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -74.56 109.85 8.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.367 0.667 . . . . 64.33 110.977 -171.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -104.53 109.84 21.89 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 123.51 0.724 . . . . 72.42 110.926 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.434 HG11 ' HG3' ' A' ' 43' ' ' GLU . 39.2 t -120.32 127.01 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.862 0.865 . . . . 64.22 109.742 -179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 57' ' ' PHE . 0.0 OUTLIER -99.98 98.03 8.83 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.315 -0.624 . . . . 73.22 109.315 172.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 94.9 m -145.49 132.92 20.71 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.692 0.797 . . . . 64.42 110.236 -176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -104.93 -20.44 13.55 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.947 0.899 . . . . 71.31 110.764 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.1 m-20 -53.59 108.31 0.33 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.31 1.044 . . . . 73.23 109.965 174.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -64.52 -28.82 69.91 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.811 0.844 . . . . 71.34 112.116 -170.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -65.1 -45.69 84.15 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.48 0.712 . . . . 73.2 110.298 172.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 61.5 tttm -80.19 -30.94 38.83 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.314 0.646 . . . . 74.33 111.955 -170.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 36' ' ' ASP . 63.0 t -62.05 -37.86 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 N-CA-C 109.411 -0.589 . . . . 61.03 109.411 175.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.95 -38.48 91.12 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.572 0.749 . . . . 72.41 111.562 173.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 42.5 mt-10 -64.63 -35.86 82.38 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.577 0.751 . . . . 73.32 110.442 176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 58.0 mm-40 -71.16 -42.07 69.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 122.86 0.464 . . . . 54.23 110.647 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 73' ' ' ALA . 76.6 mt -60.4 -36.49 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.752 0.821 . . . . 74.44 109.64 171.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.75 -30.22 69.63 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.366 1.066 . . . . 74.43 110.256 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 57.8 mttm -73.84 -54.05 8.86 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.149 0.58 . . . . 62.03 110.397 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.33 72.05 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 124.524 1.13 . . . . 61.31 113.504 -171.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.444 ' HG3' ' HG3' ' A' ' 49' ' ' LYS . 3.0 ptm180 -63.23 -41.52 99.11 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.296 0.638 . . . . 72.2 111.238 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' HG3' ' HG3' ' A' ' 48' ' ' ARG . 10.8 mtmp? -85.97 -31.42 22.09 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.717 0.807 . . . . 75.14 110.635 -177.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -71.8 -31.63 66.77 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 115.606 -0.725 . . . . 51.31 110.212 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.92 61.05 2.61 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.447 -0.797 . . . . 72.45 112.613 176.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -154.29 156.58 31.9 Favored Pre-proline 0 N--CA 1.479 1.012 0 C-N-CA 122.705 0.402 . . . . 61.53 111.104 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.756 ' HG2' HG22 ' A' ' 29' ' ' VAL . 28.1 Cg_endo -65.04 142.63 75.46 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 122.476 2.117 . . . . 70.51 111.503 167.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 43' ' ' GLU . 12.8 tt -126.49 138.37 54.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 123.692 0.797 . . . . 74.4 109.094 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 7.1 t -118.26 118.09 56.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.882 0.873 . . . . 73.12 109.498 -176.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' HA ' ' O ' ' A' ' 32' ' ' VAL . 49.8 mm -101.71 112.55 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 N-CA-C 109.555 -0.535 . . . . 72.1 109.555 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HB2' ' HB3' ' A' ' 33' ' ' ARG . 41.5 m-85 -92.19 122.85 35.06 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.363 0.665 . . . . 74.3 109.41 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 63' ' ' GLU . 13.6 pt -143.64 155.94 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.997 0.919 . . . . 72.53 110.051 177.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 9' ' ' SER . 66.2 ttt180 -79.58 153.96 29.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.883 -1.053 . . . . 64.22 109.445 174.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.72 -19.59 49.63 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 115.47 0.948 . . . . 64.51 115.47 -175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -39.38 77.36 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 122.976 0.511 . . . . 53.43 111.359 174.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -77.54 -28.28 51.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.33 1.052 . . . . 74.24 113.483 -173.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 58' ' ' ILE . 9.9 pt-20 -53.5 -26.6 21.44 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 114.807 1.41 . . . . 61.2 114.807 -169.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -55.29 -31.29 61.49 Favored 'General case' 0 N--CA 1.484 1.263 0 N-CA-C 112.817 0.673 . . . . 75.13 112.817 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -69.75 -30.54 45.13 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.099 0 C-N-CA 123.972 0.909 . . . . 70.43 111.385 -178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -58.95 -32.28 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 C-N-CA 123.442 0.697 . . . . 64.4 111.82 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -55.01 -39.59 69.24 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 121.306 0.574 . . . . 61.51 110.894 176.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -75.17 -46.64 32.88 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 115.193 -0.912 . . . . 74.33 110.718 177.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mt -65.9 -37.73 80.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 C-N-CA 124.009 0.924 . . . . 45.12 111.86 -174.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.59 -29.86 45.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.172 0.989 . . . . 63.34 112.238 -166.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -56.25 -33.1 65.12 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 123.831 0.852 . . . . 73.31 111.573 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -63.61 -42.41 98.22 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.446 -0.797 . . . . 63.22 110.634 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.504 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -72.3 -31.48 65.73 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 122.91 0.484 . . . . 64.05 111.124 179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.72 -45.54 86.11 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.854 0.862 . . . . 64.22 111.014 177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -76.05 -14.26 60.21 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.048 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -82.86 -11.78 57.94 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 123.721 0.808 . . . . 70.02 111.666 168.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 75.23 18.97 79.94 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.123 0.264 . . . . 25.24 112.862 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.1 mt -83.57 143.24 30.28 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 123.485 0.714 . . . . 73.11 110.04 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.7 115.62 14.48 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 108.254 -1.017 . . . . 72.23 108.254 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.9 m -105.66 119.94 55.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 CA-C-O 121.641 0.734 . . . . 75.34 110.367 -171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.68 HD11 ' HG2' ' A' ' 107' ' ' ARG . 46.2 tp -139.22 121.44 15.87 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.33 1.052 . . . . 74.52 109.182 -177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 106' ' ' VAL . 35.1 m -106.94 121.41 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-O 121.321 0.581 . . . . 71.44 109.603 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 51.5 mt -101.2 110.3 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.324 1.05 . . . . 64.43 108.405 178.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 0.1 OUTLIER -120.85 120.21 34.9 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.426 0.69 . . . . 72.43 110.804 -170.569 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 109' ' ' THR . 24.6 t -86.74 115.06 27.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 N-CA-C 108.367 -0.975 . . . . 74.1 108.367 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.77 146.56 9.71 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 123.637 0.585 . . . . 75.12 110.686 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -138.94 127.32 22.89 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.318 1.047 . . . . 73.33 109.709 -174.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 22.5 t70 51.78 75.81 0.2 Allowed 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 125.08 1.352 . . . . 75.34 112.805 171.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.57 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 50.4 mt-30 -148.85 120.75 8.17 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 124.05 0.94 . . . . 75.33 108.693 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -74.91 -33.69 62.05 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.453 0.701 . . . . 64.24 110.609 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.54 -33.09 74.83 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 124.018 0.927 . . . . 72.32 110.485 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.57 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 13.9 tp -58.15 -46.3 85.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 114.955 -1.021 . . . . 75.03 110.768 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 43.1 mt-10 -68.44 -24.9 64.78 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 124.789 1.305 . . . . 70.32 111.749 -175.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -68.17 -48.59 64.9 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 122.63 0.372 . . . . 73.42 110.366 175.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -67.9 -41.61 82.44 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.062 0.545 . . . . 72.12 110.568 177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.426 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 63.0 t80 -58.4 -48.3 81.1 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.472 1.109 . . . . 65.42 110.871 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -63.11 -29.43 70.8 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.77 -1.104 . . . . 72.31 110.865 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -62.67 -44.56 95.95 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.524 0.73 . . . . 62.22 111.718 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.2 mp -75.3 -29.08 59.96 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 122.604 0.362 . . . . 74.33 110.342 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.525 ' HE2' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -74.9 -27.4 60.21 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.578 0.751 . . . . 74.21 111.239 173.81 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -71.76 -41.88 67.85 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.064 1.346 . . . . 72.15 109.282 176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.39 -66.89 0.5 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 113.599 -1.637 . . . . 73.13 109.809 175.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.12 -23.04 0.99 Allowed Glycine 0 C--N 1.336 0.531 0 CA-C-N 115.347 -0.842 . . . . 72.32 111.965 -175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.9 t -50.09 121.47 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.411 0 C-N-CA 124.006 0.923 . . . . 71.41 110.871 177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -71.6 142.63 49.99 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.407 -0.59 . . . . 64.41 109.407 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG23 ' HE2' ' A' ' 100' ' ' LYS . 50.2 t -133.9 126.37 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 109.301 -0.629 . . . . 73.13 109.301 -176.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.68 ' HG2' HD11 ' A' ' 81' ' ' LEU . 9.3 mmp_? -98.79 107.78 20.31 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.892 -0.781 . . . . 73.45 108.892 166.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.6 m -84.08 119.14 32.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 108.591 -0.892 . . . . 65.14 108.591 169.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 85' ' ' VAL . 1.6 t -119.18 97.65 5.78 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.54 -0.911 . . . . 70.45 108.54 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -77.54 7.01 6.05 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.085 -0.961 . . . . 73.51 112.025 -174.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -130.81 152.48 50.1 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.799 0.84 . . . . 74.34 109.941 173.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -73.26 -42.51 62.43 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.666 1.186 . . . . 75.31 109.73 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -75.93 -30.3 58.67 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 114.325 -1.307 . . . . 74.15 111.275 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -64.12 -34.85 78.98 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 122.642 0.377 . . . . 72.44 110.324 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.16 85.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.993 -0.549 . . . . 71.34 111.262 177.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.67 ' HG3' HG21 ' A' ' 21' ' ' VAL . 29.1 ttmt -58.11 -54.9 41.75 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.484 1.114 . . . . 72.13 111.611 176.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -69.38 -30.9 68.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 115.526 -0.761 . . . . 72.4 111.458 -177.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -63.65 -39.69 94.97 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.478 1.111 . . . . 61.53 111.005 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.53 HD21 HG22 ' A' ' 7' ' ' VAL . 84.4 mt -66.78 -53.57 31.69 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 115.557 -0.747 . . . . 65.02 110.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 37.2 ttpt -60.38 -36.77 78.83 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.772 0.67 . . . . 52.34 110.676 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -53.16 -47.37 68.82 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.641 1.176 . . . . 74.03 111.123 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.6 mt -70.67 -45.78 64.43 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 114.761 -1.109 . . . . 73.01 110.608 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.597 HD21 HG13 ' A' ' 22' ' ' VAL . 10.7 mp -58.81 -32.7 69.6 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.684 0.794 . . . . 75.2 112.489 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 17.3 mm-40 -65.46 -25.04 67.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.729 0.412 . . . . 74.23 111.921 176.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -111.93 13.59 20.85 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.208 1.003 . . . . 63.21 110.847 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 51.4 t 70.18 3.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.271 0 C-N-CA 125.066 1.346 . . . . 54.54 112.03 177.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.22 -160.11 27.54 Favored Glycine 0 C--O 1.247 0.914 0 N-CA-C 110.146 -1.182 . . . . 31.41 110.146 178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.7 p -94.89 66.84 3.11 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.465 0.706 . . . . 34.41 109.914 173.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.6 mp -85.74 164.28 17.71 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 115.442 -0.799 . . . . 74.32 110.162 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 56.83 41.84 27.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.641 1.176 . . . . 63.25 112.058 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -63.76 92.83 0.07 Allowed 'General case' 0 C--N 1.356 0.848 0 CA-C-O 121.674 0.749 . . . . 74.24 109.639 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -131.59 141.8 49.75 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 124.922 1.289 . . . . 52.53 107.694 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 25.5 m80 61.76 -152.63 0.37 Allowed 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 108.213 -1.032 . . . . 63.43 108.213 -170.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 58.3 m80 61.95 28.89 17.59 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.94 0.896 . . . . 73.54 111.566 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 27.2 p80 -76.03 80.41 2.88 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 115.389 -0.823 . . . . 64.41 108.959 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 45.3 m80 . . . . . 0 C--O 1.251 1.152 0 C-N-CA 125.318 1.447 . . . . 75.13 110.217 -175.339 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HB2' ' HD3' ' A' ' 53' ' ' PRO . 1.4 mpt? . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 109.124 -0.695 . . . . 73.1 109.124 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.28 48.68 3.96 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 123.075 0.369 . . . . 71.11 113.162 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 79' ' ' ARG . 4.0 m -88.85 139.64 30.26 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 109.012 -0.736 . . . . 75.44 109.012 175.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.0 t -123.75 113.86 38.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 105.424 -2.065 . . . . 71.21 105.424 174.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.469 HG12 HD23 ' A' ' 81' ' ' LEU . 8.9 m -119.25 109.87 27.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.672 -0.862 . . . . 63.2 108.672 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.34 109.04 25.32 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 N-CA-C 108.523 -0.917 . . . . 61.44 108.523 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 47.9 t -85.72 116.33 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 N-CA-C 108.112 -1.07 . . . . 55.12 108.112 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 84' ' ' LYS . 48.1 t -120.44 148.67 23.46 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.366 0.666 . . . . 75.01 109.746 177.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -164.51 145.65 8.12 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 108.388 -0.967 . . . . 53.44 108.388 169.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -70.22 -9.76 56.82 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 122.954 0.502 . . . . 62.13 112.343 -176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.2 t70 -112.04 143.89 42.31 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 123.322 0.649 . . . . 53.42 109.667 172.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -77.83 -32.46 52.2 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.664 -0.698 . . . . 75.02 111.086 -176.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 mtm180 -72.52 -27.27 62.14 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 116.333 -0.394 . . . . 73.31 111.235 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 N-CA-C 109.557 -0.534 . . . . 51.11 109.557 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.25 -48.44 81.62 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.252 0.621 . . . . 64.24 111.513 174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -65.32 -44.33 88.18 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.637 -0.71 . . . . 64.52 110.633 -175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -57.08 -50.59 72.29 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.905 0.882 . . . . 71.01 110.205 177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 22' ' ' VAL . 7.0 mp -69.23 -29.49 67.43 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 114.807 -1.088 . . . . 63.34 110.837 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.5 tp -65.28 -44.05 89.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.021 0.528 . . . . 73.22 110.325 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -64.33 -31.31 72.47 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 123.763 0.664 . . . . 62.4 110.985 -178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.71 -51.62 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.617 0.767 . . . . 65.15 110.565 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 119' ' ' LEU . 62.6 t -65.58 -44.99 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.335 0 C-N-CA 123.895 0.878 . . . . 53.53 112.041 -178.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.39 -40.63 95.07 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.991 0.916 . . . . 74.43 110.504 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -84.18 -20.39 32.46 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 112.191 0.441 . . . . 72.15 112.191 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.9 t -63.46 -39.24 93.93 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.222 0.609 . . . . 61.43 109.888 177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.422 ' HB3' HD23 ' A' ' 123' ' ' LEU . 15.7 t70 -157.68 126.79 3.08 Favored Pre-proline 0 C--O 1.242 0.664 0 CA-C-N 115.081 -0.963 . . . . 72.44 108.702 173.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -79.75 -18.1 10.65 Favored 'Trans proline' 0 C--N 1.375 1.96 0 C-N-CA 122.764 2.31 . . . . 72.21 114.142 -172.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -104.26 -16.2 15.25 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 112.3 0.482 . . . . 55.04 112.3 -170.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG21 ' HG ' ' A' ' 123' ' ' LEU . 42.4 t -60.42 128.81 22.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 N-CA-C 108.536 -0.913 . . . . 74.35 108.536 168.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.432 ' HB3' HG13 ' A' ' 54' ' ' ILE . 5.0 tmtt? -70.98 81.74 0.66 Allowed 'General case' 0 CA--C 1.551 0.998 0 O-C-N 124.32 1.012 . . . . 73.25 110.012 -168.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.9 p -86.1 118.66 25.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.88 -0.785 . . . . 75.44 108.88 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 ' HB ' HD13 ' A' ' 56' ' ' ILE . 99.4 t -126.4 122.17 60.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.292 1.037 . . . . 73.22 109.341 -172.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -121.85 96.18 4.96 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.464 -1.31 . . . . 64.13 107.464 169.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 36' ' ' ASP . 12.9 t -136.49 -32.27 0.84 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.26 0.624 . . . . 64.12 110.718 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 62.98 7.82 2.87 Favored 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 124.41 1.084 . . . . 74.04 112.283 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.621 ' H ' HG23 ' A' ' 34' ' ' THR . 13.7 t70 -86.86 135.54 33.29 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.932 0.893 . . . . 63.54 109.477 -176.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.692 ' HA ' HG13 ' A' ' 65' ' ' VAL . 37.6 ttmt -74.03 -57.41 3.98 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 113.224 0.824 . . . . 72.01 113.224 -164.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.81 -32.8 72.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.941 -0.572 . . . . 73.04 110.67 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -64.76 -38.97 92.78 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.475 0.71 . . . . 54.44 112.362 -172.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 36' ' ' ASP . 69.1 t -55.99 -48.75 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 O-C-N 123.885 0.741 . . . . 61.24 110.745 177.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 68' ' ' ASP . 96.1 mttt -57.75 -37.47 73.68 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.715 0.806 . . . . 52.53 111.68 -178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 27.2 mt-10 -66.47 -44.61 82.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.527 -0.761 . . . . 65.43 110.103 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.18 -27.9 57.08 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.49 -0.777 . . . . 74.21 112.537 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.501 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 80.6 mt -60.86 -49.14 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 108.624 -0.88 . . . . 63.32 108.624 173.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -44.07 68.08 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.392 1.077 . . . . 73.51 111.648 176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 63.6 mttm -63.46 -40.7 97.82 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.686 -0.688 . . . . 71.11 110.946 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.14 -27.97 66.89 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.812 0.845 . . . . 70.32 111.494 177.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 0.4 OUTLIER -75.35 -43.39 50.79 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.051 0.54 . . . . 75.22 111.556 178.419 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -70.65 -20.13 62.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.01 0.524 . . . . 74.11 110.752 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -83.45 -30.9 26.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.284 0.634 . . . . 70.32 109.83 172.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.33 32.58 27.97 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 115.338 -0.846 . . . . 61.3 115.084 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.407 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 18.5 ptt180 -145.77 157.66 50.84 Favored Pre-proline 0 N--CA 1.484 1.26 0 CA-C-N 117.743 0.771 . . . . 72.53 110.969 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.524 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 55.3 Cg_endo -65.18 155.55 67.83 Favored 'Trans proline' 0 C--N 1.392 2.865 0 C-N-CA 122.775 2.317 . . . . 72.23 113.505 -172.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG13 ' HB3' ' A' ' 30' ' ' LYS . 15.8 tt -125.34 127.53 72.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 CA-C-N 115.402 -0.817 . . . . 75.34 109.621 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 4.4 t -104.29 125.65 59.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 108.854 -0.795 . . . . 72.51 108.854 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 32' ' ' VAL . 36.5 mm -118.23 119.2 60.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.324 0.649 . . . . 61.13 109.75 -175.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -97.71 111.58 23.81 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.119 0.968 . . . . 72.23 110.182 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 8' ' ' VAL . 39.0 mt -128.87 140.74 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.681 1.192 . . . . 75.51 109.109 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.573 ' HB3' ' HD1' ' A' ' 62' ' ' TYR . 65.4 ttt180 -93.31 169.42 10.39 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 118.944 -0.55 . . . . 74.41 109.962 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.16 -39.46 95.92 Favored Glycine 0 N--CA 1.481 1.664 0 N-CA-C 115.494 0.958 . . . . 65.14 115.494 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.77 -28.85 55.85 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 121.703 0.763 . . . . 53.42 110.375 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.573 ' HD1' ' HB3' ' A' ' 59' ' ' ARG . 97.1 m-85 -77.69 -23.93 49.41 Favored 'General case' 0 CA--C 1.551 0.996 0 CA-C-N 114.627 -1.169 . . . . 72.11 111.421 174.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -49.94 -23.44 1.98 Allowed 'General case' 0 N--CA 1.508 2.448 0 C-N-CA 126.232 1.813 . . . . 72.23 113.689 -170.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -50.88 -33.52 24.36 Favored 'General case' 0 CA--C 1.56 1.358 0 C-N-CA 123.832 0.853 . . . . 75.44 112.044 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.692 HG13 ' HA ' ' A' ' 37' ' ' LYS . 29.8 t -54.53 -39.57 46.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 124.999 1.32 . . . . 44.43 112.075 176.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 69' ' ' ILE . 39.1 t -56.59 -31.93 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 123.351 0.66 . . . . 74.31 111.514 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.466 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 14.9 tpt180 -57.39 -41.18 79.76 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 124.431 1.092 . . . . 71.3 111.774 178.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.426 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -70.06 -43.27 71.55 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-N 115.637 -0.71 . . . . 63.15 110.332 175.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 66' ' ' VAL . 66.4 mt -58.42 -36.99 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 C-N-CA 123.998 0.919 . . . . 64.15 111.063 -179.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 66' ' ' VAL . 36.1 t -54.65 -54.79 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.219 1.008 . . . . 74.1 111.033 179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -60.82 -48.2 82.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.71 0.631 . . . . 62.33 110.702 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -57.75 -56.48 21.43 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.972 0.795 . . . . 64.2 111.774 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.42 -32.48 72.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.675 0.79 . . . . 74.3 112.333 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -73.88 -31.32 63.09 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.033 0.533 . . . . 64.13 110.788 175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -71.49 -29.19 64.53 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 122.912 0.485 . . . . 74.12 110.711 172.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -79.76 -9.58 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.738 0.815 . . . . 65.52 111.811 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 69.45 37.1 78.66 Favored Glycine 0 C--N 1.357 1.747 0 O-C-N 123.744 0.653 . . . . 54.34 112.503 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 HH11 ' A' ' 48' ' ' ARG . 82.2 mt -100.61 158.5 15.89 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.617 0.767 . . . . 75.22 110.983 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.614 ' HD2' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -71.1 109.25 5.06 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 106.637 -1.616 . . . . 74.45 106.637 170.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.3 t -106.18 119.76 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.706 -1.22 . . . . 73.03 107.706 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.679 HD11 ' HD2' ' A' ' 107' ' ' ARG . 52.0 tp -137.07 111.14 8.31 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.055 0.942 . . . . 75.11 108.61 -173.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.828 HG11 HD13 ' A' ' 99' ' ' LEU . 2.5 p -100.53 112.56 33.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 N-CA-C 109.217 -0.66 . . . . 71.12 109.217 175.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 46.4 mt -102.58 108.71 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 N-CA-C 108.285 -1.006 . . . . 71.22 108.285 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.539 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 49.6 pttt -137.04 140.42 42.05 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.903 0.705 . . . . 74.24 112.903 -176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.1 t -88.44 130.44 37.95 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 CA-C-N 115.286 -0.87 . . . . 63.23 109.835 178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.26 121.91 7.47 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.68 0.792 . . . . 65.23 110.456 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -103.11 -53.38 2.83 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.613 0.765 . . . . 75.01 110.112 173.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -159.55 93.1 1.09 Allowed 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.979 0.512 . . . . 45.55 109.851 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -149.33 102.36 3.2 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.436 1.094 . . . . 55.24 108.773 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -65.74 -32.71 74.41 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.35 0.66 . . . . 73.33 111.917 -175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' H ' HD22 ' A' ' 91' ' ' LEU . 2.2 mm? -65.59 -39.02 91.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.394 0.677 . . . . 73.15 109.777 179.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.95 -42.25 81.25 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.864 -1.062 . . . . 73.1 110.255 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.72 -37.94 89.29 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 123.743 0.817 . . . . 75.34 111.917 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.32 -50.06 75.13 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.605 0.762 . . . . 73.03 110.682 177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.466 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 57.6 t80 -65.29 -42.67 92.89 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 114.171 -1.377 . . . . 74.14 109.828 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -54.36 -45.79 72.83 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.784 1.633 . . . . 72.0 111.617 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -62.73 -46.37 88.41 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.305 1.003 . . . . 72.2 110.632 -176.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.9 tp60 -65.94 -29.89 70.37 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 115.049 -0.978 . . . . 73.11 111.762 -172.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.828 HD13 HG11 ' A' ' 82' ' ' VAL . 62.2 mt -62.66 -44.43 96.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.876 0.87 . . . . 73.41 110.492 174.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -65.61 -43.56 89.2 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 114.59 -1.186 . . . . 74.23 109.899 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -70.18 -25.25 63.34 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 114.784 -1.098 . . . . 74.14 110.877 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -69.2 -56.54 7.3 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.246 0.618 . . . . 53.41 109.436 171.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 138.63 -2.77 2.82 Favored Glycine 0 N--CA 1.468 0.773 0 CA-C-N 115.185 -0.916 . . . . 73.54 112.016 -173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.441 HG21 HG22 ' A' ' 70' ' ' VAL . 80.0 t -70.25 127.4 32.12 Favored 'Isoleucine or valine' 0 C--O 1.242 0.669 0 C-N-CA 123.649 0.779 . . . . 62.44 109.864 172.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -73.83 137.72 43.98 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.09 -0.708 . . . . 73.5 109.09 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.4 m -121.26 118.87 57.48 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 N-CA-C 108.106 -1.072 . . . . 73.11 108.106 -176.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.679 ' HD2' HD11 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -107.93 104.92 14.5 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.56 -1.274 . . . . 73.42 107.56 172.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.7 m -108.61 113.26 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 108.165 -1.05 . . . . 71.31 108.165 170.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 115' ' ' ALA . 33.4 p -86.94 -29.71 21.87 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.389 -0.823 . . . . 65.25 109.9 -178.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.1 t70 74.08 -50.18 0.68 Allowed 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 125.162 1.385 . . . . 62.11 110.989 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -81.87 136.68 35.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.217 1.007 . . . . 74.32 109.889 171.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.87 -39.66 76.2 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.935 0.894 . . . . 64.4 112.025 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -69.18 -29.18 67.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.763 0.825 . . . . 72.24 112.354 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' O ' ' HD3' ' A' ' 118' ' ' ARG . 15.6 mm-40 -71.1 -32.4 69.0 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.22 0.208 . . . . 75.14 111.114 171.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.416 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -69.23 -55.41 10.64 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.288 0.635 . . . . 54.34 111.583 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -59.97 -32.59 70.96 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.745 0.818 . . . . 72.54 111.135 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -59.66 -55.96 27.86 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 124.162 0.985 . . . . 73.13 110.399 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 6.1 mpt_? -62.96 -44.58 95.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 123.665 0.603 . . . . 72.13 110.806 -176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.491 ' HB3' HG22 ' A' ' 22' ' ' VAL . 63.7 mt -52.96 -48.63 67.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.123 0.969 . . . . 74.35 112.013 -177.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -64.07 -39.6 94.43 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 115.292 -0.867 . . . . 73.32 110.65 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.62 -28.9 65.19 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 114.925 -1.034 . . . . 73.05 112.008 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.635 HD22 ' HA2' ' A' ' 127' ' ' GLY . 21.9 mt -73.29 -31.46 64.05 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 122.835 0.454 . . . . 74.13 110.834 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.9 mp -69.03 -28.79 66.88 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 123.131 0.573 . . . . 71.44 111.23 175.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.68 -28.12 65.59 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.331 0.652 . . . . 61.22 110.822 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB2' ' H ' ' A' ' 126' ' ' VAL . 35.9 mttm -119.33 -97.33 0.46 Allowed 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.415 0.686 . . . . 74.43 110.074 -174.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.405 ' H ' ' HB2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -156.57 -57.77 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 C-N-CA 125.014 1.325 . . . . 74.21 108.848 177.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.635 ' HA2' HD22 ' A' ' 122' ' ' LEU . . . 141.94 44.39 0.06 OUTLIER Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.829 -0.623 . . . . 71.01 112.798 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.9 p -127.03 -70.53 0.71 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.31 0.644 . . . . 70.21 110.244 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 9.3 mp 71.67 126.77 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.763 1.625 . . . . 61.23 112.875 174.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -76.04 82.36 2.9 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.012 -0.995 . . . . 63.45 110.266 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -174.7 -40.6 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.491 1.516 . . . . 72.54 107.568 -174.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -69.82 125.13 25.83 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 114.611 -1.177 . . . . 73.22 108.627 172.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 67.48 90.15 0.1 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.679 1.237 . . . . 64.44 110.257 -173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -97.11 -48.36 5.41 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 115.498 -0.774 . . . . 52.5 109.488 173.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 64.75 -77.87 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 125.152 1.381 . . . . 74.45 112.609 -179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 . . . . . 0 N--CA 1.481 1.079 0 C-N-CA 123.432 0.693 . . . . 52.14 109.356 -177.096 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HB2' HG12 ' A' ' 126' ' ' VAL . 65.6 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.885 -0.413 . . . . 72.24 109.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.27 61.73 4.59 Favored Glycine 0 C--N 1.353 1.474 0 N-CA-C 111.306 -0.718 . . . . 71.42 111.306 176.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 79' ' ' ARG . 6.7 m -87.1 104.8 16.68 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 108.993 -0.743 . . . . 62.33 108.993 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.6 t -93.93 111.98 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 N-CA-C 105.577 -2.009 . . . . 73.25 105.577 -177.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG11 HD13 ' A' ' 122' ' ' LEU . 16.9 m -118.65 111.94 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 121.595 0.712 . . . . 72.31 109.51 -172.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.505 HD13 HG22 ' A' ' 82' ' ' VAL . 3.9 mp -105.0 107.15 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 108.76 -0.83 . . . . 41.44 108.76 -168.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 49.1 t -87.95 108.72 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 123.534 0.734 . . . . 64.21 109.084 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.616 HG22 ' HB ' ' A' ' 58' ' ' ILE . 16.8 t -112.62 149.05 15.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 116.058 -0.519 . . . . 72.51 109.733 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 t -159.21 153.54 23.92 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.878 0.871 . . . . 75.15 108.658 171.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -70.8 -11.15 60.78 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.196 0.598 . . . . 75.34 112.303 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -115.02 155.97 25.98 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.605 0.762 . . . . 73.23 110.737 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' NE ' ' A' ' 59' ' ' ARG . 34.8 mt-10 -85.14 -48.94 8.66 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.362 1.065 . . . . 73.41 110.629 -176.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -70.95 -24.22 62.39 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.074 0.55 . . . . 74.04 112.344 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.91 -41.91 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 N-CA-C 109.416 -0.587 . . . . 44.1 109.416 169.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.95 -33.89 75.54 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.059 0.544 . . . . 65.42 111.235 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 45.5 mt-10 -71.03 -41.98 70.13 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.437 0.695 . . . . 73.33 111.099 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.93 -52.01 65.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.124 0.97 . . . . 72.41 110.107 176.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -67.61 -27.21 66.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.268 1.027 . . . . 72.45 111.912 -178.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.572 HD22 HH21 ' A' ' 33' ' ' ARG . 14.6 tp -57.43 -53.58 56.47 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-O 121.415 0.626 . . . . 64.34 110.319 174.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.72 -30.26 70.45 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 114.097 -1.41 . . . . 74.24 111.546 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.666 HG21 ' HG2' ' A' ' 116' ' ' LYS . 48.6 t -63.15 -41.02 91.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 123.847 0.717 . . . . 65.32 110.455 175.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG13 HD21 ' A' ' 123' ' ' LEU . 97.6 t -65.74 -54.08 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.228 0.611 . . . . 50.33 109.994 178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mp -55.72 -40.11 72.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.845 0.858 . . . . 74.04 111.449 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -71.56 -44.07 65.22 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.834 0.854 . . . . 75.02 110.795 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.9 t -65.43 -33.08 75.1 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.789 0.835 . . . . 74.43 111.429 -177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 10.9 t70 -169.03 113.81 0.53 Allowed Pre-proline 0 CA--C 1.55 0.966 0 N-CA-C 108.62 -0.882 . . . . 71.43 108.62 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 26' ' ' ASP . 5.1 Cg_exo -79.28 -7.37 15.05 Favored 'Trans proline' 0 C--N 1.377 2.052 0 C-N-CA 123.235 2.623 . . . . 71.31 113.505 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.48 -22.18 21.5 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.143 0.577 . . . . 74.15 110.86 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.681 HG21 ' HG ' ' A' ' 123' ' ' LEU . 96.8 t -72.78 112.1 8.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 108.793 -0.817 . . . . 53.53 108.793 172.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -80.24 122.11 26.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.222 0.609 . . . . 75.04 110.814 -170.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.634 HG22 ' HB ' ' A' ' 55' ' ' VAL . 76.7 p -98.07 142.44 29.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.291 0.637 . . . . 71.31 109.7 172.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG11 ' HG3' ' A' ' 43' ' ' GLU . 79.2 t -135.26 113.64 15.76 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 124.17 0.988 . . . . 72.21 109.481 -179.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 HH21 HD22 ' A' ' 19' ' ' LEU . 98.0 mtt180 -94.96 97.94 10.33 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.318 0.647 . . . . 63.03 109.514 173.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 HG21 ' HD3' ' A' ' 39' ' ' LYS . 14.7 t -173.2 142.58 1.04 Allowed 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.896 0.478 . . . . 75.31 110.271 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -91.6 -2.34 57.14 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.579 -0.737 . . . . 60.23 109.906 171.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -64.75 86.19 0.05 OUTLIER 'General case' 0 C--N 1.365 1.274 0 N-CA-C 108.916 -0.772 . . . . 43.41 108.916 174.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 18.8 pttt -53.83 -40.68 66.65 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.112 1.365 . . . . 74.42 112.748 -176.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -57.89 -35.32 70.84 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.634 0.774 . . . . 72.11 111.033 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 44.6 tttm -77.25 -46.81 21.91 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 123.102 0.561 . . . . 72.13 109.928 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 HD13 ' A' ' 69' ' ' ILE . 88.3 t -55.72 -36.59 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 C-N-CA 124.219 1.008 . . . . 72.21 111.812 -175.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 96.3 mttt -63.03 -39.75 95.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.213 0.605 . . . . 73.24 111.345 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.69 -34.41 64.85 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.417 -0.811 . . . . 73.23 109.699 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 61.1 mm-40 -61.69 -44.07 97.65 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 115.471 -0.786 . . . . 61.55 110.6 176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.1 mt -56.21 -48.37 79.47 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 O-C-N 124.227 0.955 . . . . 73.3 109.812 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -66.11 -31.91 73.05 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 115.391 -0.822 . . . . 73.51 111.761 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -69.99 -36.74 75.39 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.49 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.42 77.18 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.815 -0.63 . . . . 62.32 110.47 176.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -64.41 -38.42 90.96 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.351 0.66 . . . . 73.01 110.141 175.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.84 -38.85 92.36 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.95 -0.568 . . . . 61.34 110.117 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -22.08 59.04 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.402 0.681 . . . . 64.04 111.024 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.45 18.22 69.25 Favored Glycine 0 C--N 1.351 1.362 0 C-N-CA 123.273 0.463 . . . . 51.13 112.931 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -110.28 157.93 36.69 Favored Pre-proline 0 C--O 1.243 0.754 0 C-N-CA 124.837 1.255 . . . . 63.03 111.561 -171.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.508 ' HB3' ' HB ' ' A' ' 3' ' ' THR . 45.1 Cg_endo -68.22 157.83 60.14 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 122.319 2.013 . . . . 64.55 112.24 169.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.7 tt -132.14 133.32 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.438 0.695 . . . . 74.41 109.769 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.634 ' HB ' HG22 ' A' ' 31' ' ' THR . 4.6 t -110.42 108.11 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 123.265 0.626 . . . . 73.31 109.996 -172.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.2 mm -96.72 117.35 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 123.126 0.57 . . . . 65.32 110.017 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.475 ' HB2' ' HG2' ' A' ' 33' ' ' ARG . 49.7 m-85 -95.29 112.85 24.5 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.704 0.764 . . . . 73.05 110.606 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.616 ' HB ' HG22 ' A' ' 8' ' ' VAL . 26.2 mm -123.51 149.95 27.58 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.653 1.581 . . . . 72.33 108.255 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' NE ' ' HG2' ' A' ' 12' ' ' GLU . 21.1 ttm180 -103.74 164.49 11.65 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 109.148 -0.686 . . . . 73.33 109.148 175.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -56.58 -33.28 62.31 Favored Glycine 0 N--CA 1.48 1.594 0 N-CA-C 115.068 0.787 . . . . 71.12 115.068 -170.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.65 -39.61 73.52 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 121.509 0.671 . . . . 71.24 110.546 177.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.36 -23.04 50.89 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.391 -1.277 . . . . 71.31 111.665 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' HB2' HG11 ' A' ' 8' ' ' VAL . 35.2 tt0 -50.29 -31.5 14.48 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 124.923 1.289 . . . . 75.22 114.406 -169.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -28.92 70.14 Favored 'General case' 0 CA--C 1.564 1.484 0 N-CA-C 112.151 0.426 . . . . 75.41 112.151 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.39 -28.92 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 C-N-CA 124.549 1.14 . . . . 44.43 111.927 175.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG22 HG13 ' A' ' 58' ' ' ILE . 57.5 t -55.02 -31.28 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.114 0.566 . . . . 74.12 111.457 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB2' ' HE1' ' A' ' 95' ' ' PHE . 61.6 ttp85 -55.73 -37.49 68.52 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.239 0.615 . . . . 62.44 110.896 179.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.35 -38.87 78.3 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.858 0.863 . . . . 62.3 111.248 178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 66' ' ' VAL . 77.1 mt -62.63 -38.37 81.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.0 0 CA-C-N 115.425 -0.807 . . . . 73.3 109.532 174.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.7 t -67.25 -35.9 75.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 124.566 1.146 . . . . 73.13 110.547 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 47.9 mt-10 -56.95 -50.82 71.45 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.805 0.442 . . . . 53.55 110.37 177.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -61.6 -43.0 99.66 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.941 0.896 . . . . 73.35 110.63 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -64.84 -31.44 72.66 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 114.93 -1.032 . . . . 64.44 111.513 -177.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -70.89 -36.36 72.72 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.636 0.775 . . . . 75.32 110.147 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.8 mmtt -63.39 -45.67 89.97 Favored 'General case' 0 N--CA 1.49 1.547 0 CA-C-O 121.338 0.59 . . . . 74.11 110.463 179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -83.3 1.4 41.26 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.073 -0.967 . . . . 55.35 112.747 -174.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 64.63 41.48 97.76 Favored Glycine 0 C--N 1.354 1.558 0 O-C-N 123.325 0.39 . . . . 54.22 112.896 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 73' ' ' ALA . 74.7 mt -89.71 160.41 16.6 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.619 0.768 . . . . 72.51 111.573 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.57 HH11 ' HB2' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -82.46 100.38 10.02 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 106.427 -1.694 . . . . 72.04 106.427 171.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.475 ' HB ' HG13 ' A' ' 104' ' ' VAL . 5.4 t -103.77 121.93 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 N-CA-C 108.665 -0.865 . . . . 74.51 108.665 -171.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.57 ' HB2' HH11 ' A' ' 79' ' ' ARG . 21.8 tp -137.5 109.71 7.32 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 124.461 1.104 . . . . 72.44 108.931 -174.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.505 HG22 HD13 ' A' ' 6' ' ' ILE . 65.5 t -101.53 111.23 30.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 N-CA-C 108.099 -1.075 . . . . 65.04 108.099 175.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 90.9 mt -106.95 110.18 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 108.02 -1.104 . . . . 64.2 108.02 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 49.6 pttt -133.98 135.53 43.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.115 0.484 . . . . 60.13 110.91 -169.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 103.75 14.77 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 CA-C-N 115.256 -0.884 . . . . 73.2 110.361 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.54 90.61 7.26 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.625 -0.716 . . . . 43.15 109.698 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -72.62 -58.02 3.68 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.451 -0.944 . . . . 71.43 108.451 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -156.12 80.05 0.98 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 107.739 -1.208 . . . . 74.41 107.739 178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -141.85 99.71 3.59 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.292 0.637 . . . . 74.34 110.44 -174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -75.39 -39.01 59.61 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.715 0.806 . . . . 65.02 110.683 175.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.23 -34.09 75.83 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.995 0.918 . . . . 60.42 110.638 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.12 -32.37 69.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.133 1.373 . . . . 70.43 112.216 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.43 -38.83 92.4 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 123.459 0.704 . . . . 71.53 111.369 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -61.99 -45.11 95.07 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.332 0.653 . . . . 65.02 110.43 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' HE1' ' HB2' ' A' ' 67' ' ' ARG . 80.8 t80 -64.16 -44.37 92.29 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 114.745 -1.116 . . . . 72.04 110.115 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -57.56 -52.08 66.85 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.05 0.94 . . . . 75.33 110.606 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -63.82 -31.34 72.49 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.902 1.281 . . . . 75.53 111.038 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -64.57 -51.86 60.59 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.408 -0.815 . . . . 64.11 110.918 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 95' ' ' PHE . 8.7 mp -66.57 -34.01 76.95 Favored 'General case' 0 N--CA 1.489 1.514 0 C-N-CA 122.626 0.37 . . . . 65.04 110.752 -177.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -64.29 -29.45 70.53 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 115.574 -0.739 . . . . 71.31 110.691 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -73.06 -45.81 55.29 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.506 0.723 . . . . 63.13 110.43 174.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -58.33 -39.96 80.83 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.15 0.58 . . . . 72.42 111.474 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.64 -10.48 14.23 Favored Glycine 0 N--CA 1.47 0.935 0 N-CA-C 111.392 -0.683 . . . . 74.14 111.392 -172.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.475 HG13 ' HB ' ' A' ' 80' ' ' VAL . 77.8 t -65.62 128.58 28.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 124.511 1.124 . . . . 64.31 110.127 177.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 81' ' ' LEU . 38.6 t0 -70.82 119.33 14.8 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.943 -0.762 . . . . 72.21 108.943 177.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.447 HG23 ' HB ' ' A' ' 82' ' ' VAL . 3.3 p -136.04 135.18 50.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 107.722 -1.214 . . . . 74.12 107.722 172.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -119.26 141.82 48.61 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 124.114 0.966 . . . . 74.11 109.564 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 m -105.43 109.57 28.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 N-CA-C 107.998 -1.112 . . . . 74.21 107.998 167.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 p -98.48 81.9 2.79 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.943 -1.026 . . . . 54.53 109.193 179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -60.45 -29.31 68.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 115.462 -0.79 . . . . 71.24 109.467 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -74.86 93.07 2.59 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 108.458 -0.941 . . . . 62.3 108.458 167.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.66 -33.1 74.88 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.28 1.032 . . . . 65.45 110.978 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -64.28 -44.9 90.25 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 61.15 110.543 174.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 118' ' ' ARG . 24.6 tt0 -65.07 -39.03 92.64 Favored 'General case' 0 C--O 1.207 -1.152 0 CA-C-N 115.641 -0.709 . . . . 75.12 110.199 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.04 80.23 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.31 0.644 . . . . 74.45 111.376 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.666 ' HG2' HG21 ' A' ' 21' ' ' VAL . 14.3 tmtt? -57.16 -44.13 83.18 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.723 1.209 . . . . 72.33 110.702 173.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -64.66 -42.79 95.17 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.761 0.825 . . . . 62.53 111.676 177.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.571 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 2.1 mmp_? -66.71 -34.83 78.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.612 0.765 . . . . 75.01 110.732 -170.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.486 ' O ' HD13 ' A' ' 123' ' ' LEU . 79.7 mt -59.05 -51.11 71.46 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 124.196 0.935 . . . . 74.41 110.928 179.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.14 -40.5 96.15 Favored 'General case' 0 CA--C 1.55 0.961 0 O-C-N 123.735 0.647 . . . . 72.14 110.407 176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -58.68 -34.28 71.09 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.377 1.071 . . . . 74.04 111.273 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.662 HD13 HG11 ' A' ' 5' ' ' VAL . 50.2 mt -68.5 -53.45 23.18 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 115.727 -0.669 . . . . 73.54 109.534 175.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.681 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.0 mp -61.8 -42.91 99.61 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.364 1.066 . . . . 53.42 112.781 -170.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -62.79 -24.11 67.57 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.454 0.702 . . . . 54.52 111.28 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -112.25 -5.07 14.21 Favored 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 123.88 0.872 . . . . 64.42 111.058 -178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 1' ' ' MET . 21.9 t 73.78 -2.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 C-N-CA 125.91 1.684 . . . . 61.44 111.859 -175.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.52 142.64 3.44 Favored Glycine 0 C--N 1.351 1.366 0 N-CA-C 110.948 -0.861 . . . . 50.52 110.948 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.542 ' HB2' HD23 ' A' ' 122' ' ' LEU . 44.4 m -152.11 170.95 18.69 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 117.721 0.761 . . . . 70.43 111.504 -177.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.402 ' HB3' ' NH2' ' A' ' 79' ' ' ARG . 2.5 pt? -159.27 158.45 32.53 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 124.103 0.961 . . . . 74.42 110.917 175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -137.66 154.46 49.7 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 124.524 1.13 . . . . 65.35 109.701 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -133.45 84.83 2.16 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 108.626 -0.879 . . . . 64.44 108.626 176.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 52.5 m170 -96.56 156.52 16.31 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.465 0.706 . . . . 75.05 110.641 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -124.47 150.8 45.33 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.95 0.9 . . . . 71.43 110.157 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -141.0 150.29 42.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.819 0.848 . . . . 62.15 109.855 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -110.44 97.16 6.68 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.212 -1.033 . . . . 72.01 108.212 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 . . . . . 0 C--O 1.25 1.124 0 C-N-CA 123.289 0.636 . . . . 65.22 109.8 -174.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 108.719 -0.845 . . . . 72.43 108.719 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -114.02 61.39 0.35 Allowed Glycine 0 C--N 1.347 1.162 0 N-CA-C 110.427 -1.069 . . . . 71.44 110.427 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -96.83 141.24 30.27 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 123.868 0.867 . . . . 73.32 110.208 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 t -123.33 114.54 42.29 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 107.053 -1.462 . . . . 65.35 107.053 -179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.522 HG11 HD13 ' A' ' 122' ' ' LEU . 15.0 m -118.56 115.67 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.322 0.649 . . . . 74.02 109.553 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.4 mm -103.29 116.37 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 108.698 -0.852 . . . . 60.1 108.698 -172.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 51.0 t -88.36 112.01 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 N-CA-C 108.987 -0.746 . . . . 65.32 108.987 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.74 HG22 HD11 ' A' ' 58' ' ' ILE . 16.0 t -114.9 131.16 67.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 C-N-CA 124.426 1.09 . . . . 74.51 109.316 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 59' ' ' ARG . 29.3 t -169.2 154.08 5.75 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.531 1.133 . . . . 72.13 108.75 177.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' HA ' ' HG3' ' A' ' 59' ' ' ARG . 81.4 m-20 -97.55 5.09 50.03 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.507 0.723 . . . . 73.32 111.002 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -107.03 123.79 48.7 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 123.764 0.826 . . . . 63.34 109.308 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.7 -49.69 72.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.584 1.154 . . . . 70.51 111.527 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -68.38 -25.96 65.33 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 115.235 -0.893 . . . . 75.03 111.632 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.1 mm -73.48 -37.41 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 N-CA-C 109.784 -0.45 . . . . 75.23 109.784 174.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.18 -36.77 83.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-O 120.627 0.251 . . . . 71.01 110.837 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 47.7 mt-10 -72.06 -43.89 64.17 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.483 0.713 . . . . 74.32 111.313 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 21' ' ' VAL . 14.4 tp10 -61.69 -51.26 69.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.971 0.908 . . . . 75.51 110.336 179.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 mp -67.05 -29.22 68.95 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 114.645 -1.161 . . . . 61.14 110.772 -178.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -59.88 -51.41 69.83 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.417 0.687 . . . . 74.23 110.021 173.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 41.5 mt-10 -62.2 -31.87 72.45 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 114.973 -1.012 . . . . 70.43 111.868 -175.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.56 HG21 ' HB2' ' A' ' 116' ' ' LYS . 50.2 t -67.35 -38.6 81.14 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 C-N-CA 123.524 0.73 . . . . 71.51 110.558 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 HD11 ' A' ' 123' ' ' LEU . 95.6 t -71.45 -45.0 70.78 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 C-N-CA 123.586 0.754 . . . . 70.11 109.956 177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.15 -42.21 96.86 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.647 0.61 . . . . 55.22 112.647 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -27.18 62.17 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-O 120.722 0.296 . . . . 75.53 111.044 -178.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.465 ' HB3' HD22 ' A' ' 123' ' ' LEU . 41.0 t -70.82 -43.59 68.28 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.457 -0.792 . . . . 71.13 110.077 176.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -171.25 118.81 0.46 Allowed Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.733 0.813 . . . . 62.1 109.412 177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -74.68 -23.44 14.53 Favored 'Trans proline' 0 C--N 1.376 1.989 0 C-N-CA 122.931 2.421 . . . . 73.51 113.773 -176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -81.36 -16.39 52.43 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.559 0.744 . . . . 63.33 111.276 -173.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' HG ' ' A' ' 123' ' ' LEU . 56.1 t -61.1 118.18 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 N-CA-C 109.038 -0.727 . . . . 54.13 109.038 167.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tptt -73.31 98.23 2.64 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 115.472 -0.786 . . . . 64.01 111.788 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.428 HG22 ' HB ' ' A' ' 55' ' ' VAL . 67.4 p -98.42 113.52 25.54 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 50.41 110.266 177.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -123.36 121.25 62.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.662 0.785 . . . . 72.42 108.923 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -102.82 108.51 19.75 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 109.361 -0.607 . . . . 74.35 109.361 176.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.59 HG23 HG22 ' A' ' 40' ' ' VAL . 5.7 t -167.44 159.53 12.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.268 0.556 . . . . 74.43 111.742 -174.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -136.76 13.44 3.16 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.088 1.355 . . . . 75.34 110.299 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -70.27 -6.91 38.29 Favored 'General case' 0 CA--C 1.567 1.63 0 C-N-CA 123.586 0.754 . . . . 70.0 111.62 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 65' ' ' VAL . 36.6 ttmt 79.74 -72.27 0.07 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.694 1.598 . . . . 72.33 110.975 166.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -63.26 -27.48 69.37 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.694 0.798 . . . . 71.13 111.018 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -58.92 -49.62 77.12 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 124.256 1.023 . . . . 71.24 110.76 172.199 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 34' ' ' THR . 30.4 t -68.47 -35.62 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.993 -0.373 . . . . 71.52 109.993 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 37' ' ' LYS . 97.6 mttt -63.94 -41.51 97.58 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.424 0.69 . . . . 72.42 111.589 -179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 10.6 pt-20 -69.93 -30.84 68.34 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 110.282 -0.266 . . . . 64.01 110.282 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 26.2 mm-40 -67.67 -36.08 80.04 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.767 0.427 . . . . 74.21 111.105 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.3 mt -64.64 -40.0 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.922 0.889 . . . . 72.04 109.975 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.416 ' HG3' ' NH2' ' A' ' 48' ' ' ARG . 38.0 tt0 -58.79 -45.54 89.61 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.494 0.718 . . . . 70.1 110.952 175.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 56.5 mttp -66.67 -36.06 81.64 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 115.608 -0.724 . . . . 52.55 110.41 177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -73.06 -36.43 66.88 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.935 0.894 . . . . 43.13 112.607 -173.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.5 ' HB3' HD11 ' A' ' 78' ' ' LEU . 4.7 ppt_? -76.8 -31.84 57.25 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 120.957 0.408 . . . . 71.32 111.755 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -75.38 -39.22 59.39 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.522 -0.763 . . . . 74.04 110.416 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -85.97 -60.94 1.87 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.225 1.01 . . . . 61.12 109.452 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.57 -160.68 21.63 Favored Glycine 0 N--CA 1.472 1.033 0 N-CA-C 110.793 -0.923 . . . . 55.15 110.793 -175.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 73.76 155.13 0.16 Allowed Pre-proline 0 N--CA 1.488 1.461 0 C-N-CA 124.911 1.284 . . . . 61.32 112.854 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -75.98 100.58 1.4 Allowed 'Trans proline' 0 C--N 1.386 2.548 0 C-N-CA 122.407 2.071 . . . . 52.01 110.546 175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.7 tt -71.99 120.84 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 N-CA-C 109.785 -0.45 . . . . 74.1 109.785 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.9 t -105.16 115.99 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.312 0.645 . . . . 71.41 109.766 -175.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.43 119.34 57.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 109.706 -0.479 . . . . 73.01 109.706 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -94.56 132.04 39.67 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.549 0.739 . . . . 73.13 109.892 178.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 8' ' ' VAL . 30.6 pt -150.33 169.06 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 124.64 1.176 . . . . 63.23 109.952 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 31.6 ttm180 -96.85 158.27 15.51 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 108.982 -0.747 . . . . 74.24 108.982 169.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.65 -23.06 58.08 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 114.413 0.525 . . . . 74.4 114.413 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.35 -44.55 62.44 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.636 0.731 . . . . 73.12 109.363 175.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -68.84 -25.19 64.52 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.148 -1.387 . . . . 75.02 112.619 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -52.96 -29.36 28.41 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 113.164 0.801 . . . . 71.42 113.164 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -56.04 -42.47 76.62 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.643 0.777 . . . . 74.5 111.526 174.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG13 ' HE2' ' A' ' 37' ' ' LYS . 77.4 t -58.23 -39.31 73.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 124.954 1.302 . . . . 73.53 111.17 176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.692 HG21 HD13 ' A' ' 58' ' ' ILE . 92.0 t -60.19 -30.67 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 123.911 0.884 . . . . 71.33 112.149 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.3 ttt180 -61.66 -33.7 74.43 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 122.641 0.376 . . . . 74.2 111.562 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.31 -31.82 60.76 Favored 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 123.064 0.545 . . . . 72.33 110.752 174.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 66' ' ' VAL . 54.8 mt -73.28 -30.67 31.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 124.327 1.051 . . . . 72.32 110.255 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' O ' ' HG2' ' A' ' 74' ' ' GLN . 4.3 t -60.91 -41.03 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.85 1.26 . . . . 72.52 109.274 173.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 0.7 OUTLIER -53.3 -39.5 64.05 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 124.19 0.931 . . . . 75.4 110.53 179.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -74.07 -46.46 42.92 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.962 0.905 . . . . 74.32 111.664 175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.68 -30.55 70.0 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.993 0.917 . . . . 72.42 112.268 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 70' ' ' VAL . 15.4 mm100 -72.71 -31.48 65.02 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 123.583 0.753 . . . . 75.33 110.907 176.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 71.2 mmtt -67.76 -36.77 81.12 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 71.23 109.973 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -67.14 -26.9 66.9 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.683 -1.144 . . . . 74.04 111.068 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 72.67 35.7 58.81 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-N 116.092 -0.503 . . . . 63.33 112.159 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 48' ' ' ARG . 62.0 mt -88.97 160.95 16.88 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 123.412 0.685 . . . . 63.0 111.61 -177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.551 HH12 ' HB3' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -83.94 101.0 11.38 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 106.844 -1.539 . . . . 62.41 106.844 175.101 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.4 t -105.13 121.42 57.12 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 N-CA-C 108.164 -1.05 . . . . 63.25 108.164 -173.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 5' ' ' VAL . 34.4 tp -135.25 107.41 7.19 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.182 -1.414 . . . . 41.42 107.182 -173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.588 HG21 HD13 ' A' ' 99' ' ' LEU . 34.4 m -96.65 125.19 49.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-O 121.441 0.639 . . . . 71.33 109.467 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.18 112.03 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 124.24 1.016 . . . . 64.23 108.79 178.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' HD3' HG11 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -127.29 130.28 49.25 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.629 0.771 . . . . 73.25 109.27 -176.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 62.5 t -84.72 106.13 14.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 N-CA-C 108.402 -0.962 . . . . 71.45 108.402 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' HA ' ' A' ' 110' ' ' ASP . . . -65.02 135.83 56.07 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.603 -0.726 . . . . 45.25 110.085 178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.404 HE22 ' HB2' ' A' ' 10' ' ' ASN . 48.1 mt-30 -132.35 39.01 3.42 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.219 -0.659 . . . . 71.05 109.219 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.8 t70 62.33 23.55 13.95 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 124.999 1.32 . . . . 75.52 111.712 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -89.5 125.28 35.13 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.548 0.739 . . . . 72.33 110.383 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.45 -39.99 92.85 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.753 0.821 . . . . 73.52 111.379 179.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.91 -37.94 89.27 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 124.019 0.824 . . . . 73.04 109.859 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' HG ' ' NZ ' ' A' ' 84' ' ' LYS . 8.4 tt -68.16 -41.81 80.97 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 114.833 -1.076 . . . . 72.43 110.863 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.57 -29.98 56.86 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.706 0.802 . . . . 64.11 111.676 -176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -70.2 -51.83 27.98 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.935 -0.765 . . . . 71.41 108.935 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.86 -35.49 74.88 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.373 1.069 . . . . 73.43 111.01 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 45.1 t80 -52.86 -39.17 62.36 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.927 1.291 . . . . 65.22 111.456 177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.67 -46.88 65.08 Favored 'General case' 0 C--N 1.348 0.531 0 O-C-N 123.822 0.701 . . . . 75.44 109.82 -176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -54.61 -38.92 67.35 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 124.517 1.136 . . . . 73.32 112.411 -175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.588 HD13 HG21 ' A' ' 82' ' ' VAL . 20.4 mt -57.1 -51.75 68.06 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.083 0.953 . . . . 63.42 110.402 176.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' A' ' 105' ' ' ASP . 7.3 mtpt -75.11 -27.94 60.05 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 114.91 -1.041 . . . . 75.44 111.561 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -74.7 -26.95 60.17 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.957 1.303 . . . . 71.42 109.272 -176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -84.38 -71.71 0.5 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.972 0.909 . . . . 72.03 109.341 175.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 169.54 44.55 0.03 OUTLIER Glycine 0 C--N 1.354 1.55 0 O-C-N 123.126 0.266 . . . . 61.0 112.955 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.33 131.82 63.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.032 0.933 . . . . 73.21 109.508 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HH12 ' A' ' 79' ' ' ARG . 37.6 t0 -85.71 149.67 25.13 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 108.899 -0.778 . . . . 63.12 108.899 177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG11 ' HD3' ' A' ' 84' ' ' LYS . 37.1 t -135.39 140.79 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 122.636 0.374 . . . . 75.31 111.322 -172.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.523 HH21 ' HA ' ' A' ' 130' ' ' GLU . 2.0 mpt_? -113.87 108.4 17.02 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 108.41 -0.959 . . . . 61.12 108.41 165.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.439 ' HA ' ' O ' ' A' ' 84' ' ' LYS . 5.0 m -87.31 112.8 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 N-CA-C 108.014 -1.106 . . . . 74.44 108.014 166.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.6 m -87.29 -38.46 16.26 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.288 -0.414 . . . . 64.2 110.787 -173.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 7.1 t70 61.66 16.88 8.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 124.398 1.079 . . . . 65.22 110.764 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -159.81 154.04 23.58 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.076 0.95 . . . . 71.24 108.684 -165.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -98.95 -37.61 9.32 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.973 0.909 . . . . 73.03 110.698 -174.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.89 -53.42 39.79 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.65 1.18 . . . . 61.33 111.229 -176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.95 -29.55 70.7 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.649 0.78 . . . . 72.11 111.283 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.62 -52.64 56.41 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.978 0.511 . . . . 51.03 111.244 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.56 ' HB2' HG21 ' A' ' 21' ' ' VAL . 22.2 ptmt -69.76 -38.87 76.91 Favored 'General case' 0 N--CA 1.484 1.236 0 O-C-N 123.703 0.627 . . . . 64.42 111.91 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -59.43 -47.89 83.74 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.326 0.651 . . . . 74.24 110.976 178.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.503 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 33.4 ttp-105 -71.02 -33.28 70.19 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.212 -0.904 . . . . 73.4 111.005 -177.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.42 -47.36 84.21 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.172 0.589 . . . . 73.12 111.424 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.441 ' HB2' HG12 ' A' ' 21' ' ' VAL . 58.1 tttm -61.38 -40.46 94.43 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.218 0.607 . . . . 74.11 110.565 177.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.83 -31.96 73.44 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 114.722 -1.127 . . . . 63.31 111.434 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.522 HD13 HG11 ' A' ' 5' ' ' VAL . 58.4 mt -60.88 -47.81 84.71 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.493 0.717 . . . . 73.23 110.781 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.525 ' HG ' HG21 ' A' ' 29' ' ' VAL . 10.2 mp -60.16 -31.86 70.5 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 115.006 -0.997 . . . . 61.43 111.455 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -74.2 -27.24 60.71 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.76 0.824 . . . . 72.02 112.166 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.56 ' HG3' HD11 ' A' ' 129' ' ' LEU . 17.3 ptpt -143.54 48.0 1.46 Allowed 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.379 0.609 . . . . 74.22 111.941 -175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.7 -29.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 C-N-CA 125.414 1.486 . . . . 74.23 113.663 169.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 103.21 -4.45 48.42 Favored Glycine 0 N--CA 1.476 1.339 0 O-C-N 121.16 -0.963 . . . . 42.53 114.36 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 26.3 t -89.34 66.2 7.43 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.202 0.601 . . . . 64.21 109.569 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.56 HD11 ' HG3' ' A' ' 125' ' ' LYS . 11.1 mp -93.25 136.77 33.2 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.059 0.543 . . . . 74.23 110.685 -178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.523 ' HA ' HH21 ' A' ' 107' ' ' ARG . 10.0 pt-20 -152.17 -161.55 1.33 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.702 1.201 . . . . 75.05 109.401 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 40.4 t60 61.48 79.27 0.26 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.19 0.996 . . . . 61.14 111.07 170.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -98.28 153.54 18.44 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.965 0.906 . . . . 73.52 109.916 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -82.08 1.43 35.98 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.784 0.834 . . . . 73.4 110.997 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -125.69 103.78 8.02 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.293 1.037 . . . . 75.23 108.441 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 59.7 m80 -95.23 124.85 39.49 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.486 -0.931 . . . . 75.32 108.486 177.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 118.534 -0.746 . . . . 75.13 110.095 -172.822 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.969 -0.382 . . . . 72.25 109.969 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.07 16.0 65.93 Favored Glycine 0 C--N 1.358 1.769 0 N-CA-C 113.749 0.259 . . . . 44.33 113.749 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.6 p -101.86 111.38 23.61 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.245 1.018 . . . . 65.55 109.654 -175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 HG13 HG23 ' A' ' 54' ' ' ILE . 91.4 t -91.12 113.6 27.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 106.158 -1.793 . . . . 74.4 106.158 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 15.1 m -107.15 111.65 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 CA-C-O 121.548 0.689 . . . . 75.33 109.625 -175.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 82' ' ' VAL . 4.2 mp -105.19 105.84 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 123.849 0.86 . . . . 75.3 108.68 -173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.5 t -85.72 112.24 22.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 N-CA-C 108.772 -0.825 . . . . 74.12 108.772 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 21.4 t -116.32 147.59 19.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.568 0 CA-C-N 115.021 -0.99 . . . . 71.24 109.922 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 p -153.32 160.45 42.71 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.082 -0.963 . . . . 72.1 109.212 173.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.24 -24.82 59.35 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.425 0.69 . . . . 74.44 110.633 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' HB3' HG12 ' A' ' 14' ' ' ILE . 15.3 t70 -111.99 142.35 44.51 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.041 0.936 . . . . 72.34 109.949 -173.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB2' ' NH1' ' A' ' 59' ' ' ARG . 9.4 tp10 -73.91 -37.24 64.72 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.861 0.865 . . . . 63.1 111.201 -174.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -70.58 -26.49 63.55 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.215 -0.902 . . . . 74.4 111.164 -176.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG12 ' HB3' ' A' ' 11' ' ' ASP . 30.1 mm -66.55 -37.83 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 O-C-N 123.756 0.66 . . . . 74.1 110.336 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.41 -38.64 87.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.572 0.349 . . . . 74.55 110.987 173.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HA ' ' NH2' ' A' ' 33' ' ' ARG . 7.1 tp10 -73.24 -46.35 50.65 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.173 0.589 . . . . 43.33 110.903 -177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -56.56 -48.44 77.32 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.51 1.124 . . . . 63.21 110.935 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.8 -29.41 62.15 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 114.738 -1.119 . . . . 55.4 111.693 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 12.5 tp -58.91 -52.91 63.71 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 123.435 0.694 . . . . 72.14 111.36 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.33 -29.88 70.77 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 114.016 -1.447 . . . . 70.34 111.261 -172.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.671 HG21 ' HG3' ' A' ' 116' ' ' LYS . 46.3 t -69.61 -39.06 77.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.952 0.901 . . . . 74.41 110.753 176.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG13 HD21 ' A' ' 123' ' ' LEU . 88.6 t -68.55 -37.32 77.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 123.704 0.802 . . . . 52.4 109.892 175.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.87 -47.04 73.1 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.771 0.828 . . . . 74.11 111.61 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -29.79 62.6 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.072 0.549 . . . . 72.14 110.816 -175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.2 t -64.86 -51.23 63.13 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 123.544 0.737 . . . . 64.01 110.348 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' HB3' HD23 ' A' ' 123' ' ' LEU . 13.4 t70 -154.69 126.16 3.67 Favored Pre-proline 0 CA--C 1.545 0.773 0 CA-C-N 115.556 -0.747 . . . . 61.42 109.242 -174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -97.29 1.78 1.63 Allowed 'Trans proline' 0 C--N 1.373 1.854 0 C-N-CA 123.15 2.567 . . . . 55.43 114.766 -174.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.02 5.57 6.51 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 118.61 0.641 . . . . 45.03 112.708 -173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.42 137.35 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 N-CA-C 107.041 -1.466 . . . . 62.42 107.041 160.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 54' ' ' ILE . 1.8 mmmp? -68.77 91.16 0.44 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.418 0.687 . . . . 55.31 111.33 -168.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.2 p -89.9 110.23 21.19 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.423 0.689 . . . . 54.3 109.413 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG12 HG22 ' A' ' 34' ' ' THR . 59.6 t -134.83 114.77 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.576 0.751 . . . . 74.41 109.88 -172.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.496 ' NH2' ' HA ' ' A' ' 16' ' ' GLU . 41.2 ttm180 -104.29 103.11 12.81 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.976 -0.749 . . . . 70.13 108.976 171.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.513 HG22 HG12 ' A' ' 32' ' ' VAL . 11.4 t -174.97 159.21 2.63 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.542 0.737 . . . . 75.25 110.129 177.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -148.89 131.71 16.06 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 115.898 -0.592 . . . . 65.44 110.123 166.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -148.51 24.86 0.98 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 124.976 1.311 . . . . 73.01 107.809 173.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HG2' HG11 ' A' ' 65' ' ' VAL . 41.8 mtpt 65.36 -79.02 0.03 OUTLIER 'General case' 0 C--N 1.36 1.057 0 C-N-CA 125.895 1.678 . . . . 73.5 111.393 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -34.36 77.95 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.701 1.201 . . . . 74.02 111.869 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE2' HG21 ' A' ' 34' ' ' THR . 87.4 tttt -61.3 -41.76 97.51 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.901 0.88 . . . . 63.23 111.79 178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -31.93 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.331 0.653 . . . . 64.52 110.377 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.28 -37.31 86.79 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.962 -0.563 . . . . 62.55 110.679 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -68.88 -31.76 70.93 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 116.245 -0.434 . . . . 72.23 110.602 173.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -65.27 -38.58 90.73 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 122.898 0.479 . . . . 73.41 110.515 174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 73' ' ' ALA . 66.4 mt -60.75 -42.6 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.015 0 C-N-CA 123.633 0.773 . . . . 62.12 110.449 172.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -63.39 -41.14 98.76 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.45 0.7 . . . . 73.31 111.065 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -66.14 -39.51 89.89 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.862 0.865 . . . . 50.55 110.747 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.45 -50.02 69.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.686 0.794 . . . . 74.33 111.787 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HD2' HD11 ' A' ' 78' ' ' LEU . 9.3 ptm180 -73.26 -26.18 61.0 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.16 0.584 . . . . 54.03 111.272 -178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -69.83 -34.6 73.87 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.945 -0.391 . . . . 71.41 109.945 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -78.43 -22.84 47.07 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.309 0.643 . . . . 73.31 110.659 170.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.61 28.95 68.42 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-N 116.056 -0.52 . . . . 74.32 112.814 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -130.93 155.69 81.14 Favored Pre-proline 0 N--CA 1.478 0.943 0 C-N-CA 124.257 1.023 . . . . 71.31 110.776 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.92 152.51 80.48 Favored 'Trans proline' 0 C--N 1.384 2.395 0 C-N-CA 122.571 2.181 . . . . 74.33 112.789 176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 30' ' ' LYS . 15.3 tt -128.06 129.48 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 123.458 0.703 . . . . 62.12 109.693 177.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 2.7 t -99.56 106.14 18.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.501 -0.555 . . . . 62.01 109.501 -179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.8 mm -95.72 111.85 26.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 123.317 0.647 . . . . 64.03 109.373 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' LEU . 54.5 m-85 -93.13 113.53 25.8 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 108.915 -0.772 . . . . 35.32 108.915 176.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 21.9 pt -140.56 155.58 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.819 0.848 . . . . 73.33 109.934 174.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' NH1' ' HB2' ' A' ' 12' ' ' GLU . 43.9 ttt180 -87.69 168.48 12.96 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 115.246 -0.888 . . . . 72.42 109.535 178.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -52.67 -29.29 32.43 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 115.165 0.826 . . . . 54.13 115.165 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.61 67.22 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.658 0.783 . . . . 64.03 111.586 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.595 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 39.5 m-85 -71.8 -28.47 63.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.785 0.834 . . . . 74.21 111.38 -176.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' HG21 ' A' ' 8' ' ' VAL . 42.5 tt0 -55.76 -30.01 60.54 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 123.922 0.889 . . . . 74.11 112.693 -178.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -54.13 -38.08 65.06 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.599 0.76 . . . . 73.11 111.171 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HG2' ' A' ' 37' ' ' LYS . 60.2 t -69.35 -30.31 45.32 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 124.572 1.149 . . . . 62.21 112.079 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 70' ' ' VAL . 76.0 t -52.66 -35.8 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 122.986 0.514 . . . . 73.31 111.113 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -53.35 -42.42 66.79 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 124.04 0.936 . . . . 65.42 111.992 177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -72.5 -39.96 67.24 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.495 1.118 . . . . 74.14 110.85 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 67.5 mt -67.6 -29.39 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 C-N-CA 124.712 1.205 . . . . 62.43 111.432 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG22 HG11 ' A' ' 80' ' ' VAL . 16.1 t -57.36 -44.73 84.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 124.794 1.238 . . . . 53.0 111.363 178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 75' ' ' LYS . 38.3 tt0 -56.21 -45.09 80.0 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.018 0.824 . . . . 74.14 110.82 -178.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -57.38 -50.6 72.47 Favored 'General case' 0 N--CA 1.476 0.873 0 O-C-N 124.06 0.85 . . . . 72.04 111.078 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.606 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -64.71 -32.1 73.62 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.64 0.588 . . . . 74.44 111.515 -178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -66.19 -38.04 87.06 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.156 0.582 . . . . 63.03 110.427 173.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 74.0 mmtt -68.29 -37.66 80.89 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 122.793 0.437 . . . . 71.33 110.316 178.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -68.86 -25.58 64.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.711 0.804 . . . . 74.55 110.759 174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.18 45.01 7.75 Favored Glycine 0 C--N 1.348 1.226 0 O-C-N 123.869 0.731 . . . . 71.24 111.674 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD11 ' HD2' ' A' ' 48' ' ' ARG . 88.9 mt -117.33 161.63 19.21 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.52 1.128 . . . . 72.02 110.336 -176.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -78.14 133.78 37.78 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.437 0.695 . . . . 74.01 110.101 171.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.737 HG11 HG22 ' A' ' 70' ' ' VAL . 6.1 t -109.32 120.14 60.04 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 106.127 -1.805 . . . . 74.25 106.127 169.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD11 ' HG2' ' A' ' 107' ' ' ARG . 29.8 tp -134.15 107.58 7.8 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 107.955 -1.128 . . . . 72.42 107.955 -174.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.506 HG12 ' HB ' ' A' ' 6' ' ' ILE . 31.2 m -96.12 121.69 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 N-CA-C 109.165 -0.68 . . . . 70.45 109.165 178.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.1 mt -97.38 107.85 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 N-CA-C 106.859 -1.534 . . . . 70.11 106.859 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HB2' HG12 ' A' ' 108' ' ' VAL . 27.2 mtpp -111.31 138.43 47.8 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.88 0.872 . . . . 74.04 110.574 -169.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.21 101.52 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 107.486 -1.302 . . . . 74.13 107.486 165.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 110' ' ' ASP . . . -85.78 149.31 25.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.65 -0.705 . . . . 71.31 109.223 177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -146.37 49.01 1.18 Allowed 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 107.109 -1.441 . . . . 75.22 107.109 176.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.36 -87.9 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 113.8 -1.545 . . . . 72.2 107.915 -161.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 51.88 102.04 0.01 OUTLIER 'General case' 0 C--N 1.366 1.285 0 C-N-CA 125.525 1.53 . . . . 71.42 112.903 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -55.31 -37.02 66.84 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.41 1.084 . . . . 55.51 111.87 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.74 -41.86 99.39 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 123.917 0.887 . . . . 64.33 110.59 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.03 -40.77 68.19 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.156 -0.929 . . . . 72.54 110.399 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -62.78 -40.68 98.07 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.175 0.99 . . . . 61.34 111.683 -177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -64.25 -53.58 46.86 Favored 'General case' 0 C--N 1.352 0.704 0 O-C-N 123.953 0.783 . . . . 62.43 109.936 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' O ' HD13 ' A' ' 99' ' ' LEU . 71.1 t80 -64.15 -40.01 95.23 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.984 0.514 . . . . 72.23 110.602 -177.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -51.9 -43.35 63.32 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.246 1.418 . . . . 72.24 111.237 175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.565 ' HG2' ' HE3' ' A' ' 101' ' ' LYS . 37.2 tt0 -69.8 -41.96 74.37 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 114.404 -1.271 . . . . 74.42 110.777 -174.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -45.18 81.09 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.85 0.719 . . . . 75.44 112.384 -178.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.607 ' HB3' ' HB ' ' A' ' 104' ' ' VAL . 10.6 mp -59.39 -31.05 68.89 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 123.709 0.804 . . . . 61.22 111.715 -177.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.433 ' HE3' HG23 ' A' ' 106' ' ' VAL . 10.3 mmpt? -66.55 -28.83 68.84 Favored 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.558 0.743 . . . . 54.01 111.606 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.565 ' HE3' ' HG2' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -74.42 -36.16 63.43 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.563 0.745 . . . . 74.52 110.685 175.216 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.31 -14.05 61.65 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 123.51 0.724 . . . . 54.2 111.555 177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 91.37 6.47 66.25 Favored Glycine 0 C--N 1.352 1.443 0 O-C-N 123.241 0.338 . . . . 71.13 112.714 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.607 ' HB ' ' HB3' ' A' ' 99' ' ' LEU . 26.2 t -70.93 131.44 34.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 C-N-CA 123.351 0.66 . . . . 54.02 109.408 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -84.89 144.37 28.43 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 108.622 -0.881 . . . . 61.14 108.622 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.504 HG13 HG23 ' A' ' 82' ' ' VAL . 35.3 t -133.1 136.04 55.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.832 -0.803 . . . . 75.53 108.832 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.757 ' HG2' HD11 ' A' ' 81' ' ' LEU . 10.5 mmt180 -115.39 106.42 13.97 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.179 -1.045 . . . . 51.42 108.179 168.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 84' ' ' LYS . 16.6 m -99.79 135.52 34.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.645 0 N-CA-C 108.579 -0.897 . . . . 72.4 108.579 171.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.484 HG21 ' HA ' ' A' ' 115' ' ' ALA . 54.7 p -107.42 -14.49 14.85 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.35 -0.841 . . . . 62.45 110.297 179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.451 ' HA ' ' HB3' ' A' ' 86' ' ' ALA . 21.1 t70 62.13 15.7 7.65 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.165 1.386 . . . . 62.41 112.061 -177.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -168.4 127.49 1.18 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 108.096 -1.076 . . . . 73.54 108.096 -177.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' HG3' HD12 ' A' ' 14' ' ' ILE . 1.4 pm0 -62.5 -24.41 67.46 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.93 0.892 . . . . 62.43 112.56 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -65.62 -52.39 52.35 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.069 0.548 . . . . 73.35 109.926 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.05 -29.35 69.68 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 115.323 -0.853 . . . . 53.3 111.634 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 119' ' ' LEU . . . -66.34 -48.34 70.57 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 109.775 -0.454 . . . . 73.33 109.775 175.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.671 ' HG3' HG21 ' A' ' 21' ' ' VAL . 54.7 tttm -52.29 -41.96 63.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.99 1.716 . . . . 50.42 112.323 175.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -72.15 -46.37 56.73 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.536 0.734 . . . . 74.43 110.95 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -70.2 -25.67 63.52 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.807 0.843 . . . . 74.32 111.457 -173.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 115' ' ' ALA . 54.5 mt -58.33 -53.24 60.56 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.106 0.562 . . . . 73.41 110.414 174.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -63.04 -37.76 88.47 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 114.931 -1.031 . . . . 73.22 110.81 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.05 -44.07 91.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.407 1.083 . . . . 71.24 111.068 177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.5 -29.62 56.9 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.545 -0.752 . . . . 72.14 111.032 -178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 HD21 HG13 ' A' ' 22' ' ' VAL . 6.2 mp -63.02 -43.93 97.37 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 121.184 0.516 . . . . 63.35 110.767 174.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -69.7 -23.73 63.48 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 114.624 -1.171 . . . . 74.35 111.284 177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -110.74 17.86 20.2 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.882 0.873 . . . . 74.34 112.208 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 16.8 t 66.8 -1.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 125.432 1.493 . . . . 61.12 113.325 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 109.66 53.97 0.58 Allowed Glycine 0 C--N 1.345 1.055 0 O-C-N 121.676 -0.64 . . . . 74.45 111.903 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 31.8 t -150.76 138.69 19.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.796 0.438 . . . . 55.51 110.983 -173.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 40.0 tp -158.8 159.04 34.67 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.502 1.121 . . . . 75.11 109.237 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -70.75 151.77 44.5 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.507 0.723 . . . . 62.34 111.037 177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 48.5 m80 -90.02 79.66 6.5 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.694 -0.854 . . . . 74.45 108.694 170.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -97.02 95.24 7.66 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.113 -0.699 . . . . 73.54 109.113 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -127.01 -16.96 4.97 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.303 0.641 . . . . 74.02 110.967 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -68.11 90.43 0.33 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 108.628 -0.879 . . . . 74.31 108.628 172.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -123.44 119.63 30.59 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.209 1.003 . . . . 73.3 109.384 -175.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 63.7 t-80 . . . . . 0 C--O 1.248 1.008 0 N-CA-C 108.873 -0.788 . . . . 73.12 108.873 174.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HB3' ' O ' ' A' ' 51' ' ' GLY . 67.1 mtt . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 110.182 -0.303 . . . . 73.22 110.182 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.57 33.23 76.09 Favored Glycine 0 C--N 1.353 1.484 0 N-CA-C 112.019 -0.432 . . . . 62.2 112.019 -171.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 79' ' ' ARG . 46.5 p -65.54 133.29 50.9 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.867 0.867 . . . . 62.12 110.984 -175.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.414 HG12 HD11 ' A' ' 6' ' ' ILE . 16.0 t -92.13 111.38 24.14 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 106.822 -1.548 . . . . 75.22 106.822 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 6.8 m -117.8 112.46 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 N-CA-C 108.69 -0.855 . . . . 74.05 108.69 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.746 HD13 HG22 ' A' ' 82' ' ' VAL . 3.7 mp -103.68 111.79 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 108.375 -0.972 . . . . 74.13 108.375 -173.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -87.56 123.65 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 108.472 -0.936 . . . . 73.05 108.472 178.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.67 149.29 32.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 C-N-CA 123.93 0.892 . . . . 75.13 109.076 -174.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.4 p -164.06 166.73 21.13 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.027 0.931 . . . . 50.32 109.163 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -87.21 18.85 3.45 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.037 0.535 . . . . 74.31 111.167 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -156.63 145.0 19.75 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.999 0.92 . . . . 70.45 109.518 -172.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -78.0 -35.78 49.59 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.483 0.713 . . . . 62.3 111.033 -175.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.8 mtm180 -73.81 -26.08 60.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.144 0.578 . . . . 55.04 111.67 -175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.4 ' O ' HD13 ' A' ' 18' ' ' LEU . 60.2 mt -65.77 -41.33 90.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 109.149 -0.686 . . . . 73.14 109.149 171.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.3 mt -59.52 -43.53 93.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.704 0.402 . . . . 61.44 110.944 173.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 20' ' ' GLU . 41.2 mt-10 -72.75 -32.74 65.88 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.9 0.88 . . . . 74.22 111.65 -176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -64.6 -52.43 57.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.677 0.791 . . . . 62.53 109.603 172.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 14' ' ' ILE . 8.1 mp -66.96 -28.63 68.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.945 1.298 . . . . 62.31 111.28 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD21 HH21 ' A' ' 33' ' ' ARG . 26.1 tp -59.83 -50.51 73.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.529 1.132 . . . . 73.55 111.159 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 42.8 mt-10 -65.45 -29.64 70.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 114.269 -1.332 . . . . 75.43 111.15 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.566 HG11 ' O ' ' A' ' 116' ' ' LYS . 25.6 t -65.95 -40.12 86.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 O-C-N 123.623 0.577 . . . . 44.43 110.31 175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 123' ' ' LEU . 57.3 t -68.23 -43.89 84.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 109.076 -0.713 . . . . 55.13 109.076 177.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.79 -30.21 67.7 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 113.346 0.869 . . . . 73.22 113.346 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -83.25 -32.32 26.51 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-N 118.178 0.445 . . . . 73.53 110.358 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.606 ' HB2' ' HG3' ' A' ' 120' ' ' LYS . 33.2 t -70.89 -56.07 7.07 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.208 0.603 . . . . 52.45 109.788 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' HB3' HD23 ' A' ' 123' ' ' LEU . 9.5 t70 -152.4 101.44 2.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 N-CA-C 108.154 -1.054 . . . . 72.12 108.154 176.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -72.61 -19.34 24.63 Favored 'Trans proline' 0 C--N 1.373 1.826 0 C-N-CA 122.442 2.094 . . . . 75.2 112.766 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -77.54 -15.14 59.44 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.915 0.886 . . . . 61.32 110.68 -173.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.71 134.25 30.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 N-CA-C 109.158 -0.682 . . . . 72.15 109.158 165.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' HG22 ' A' ' 32' ' ' VAL . 21.0 tptm -76.23 107.51 8.51 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.01 0.524 . . . . 74.11 110.786 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.6 p -96.74 129.01 44.23 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 123.764 0.826 . . . . 75.11 109.969 173.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.501 HG22 ' HE2' ' A' ' 30' ' ' LYS . 5.5 t -130.38 124.47 57.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.299 -0.63 . . . . 62.43 109.299 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.559 HH21 HD21 ' A' ' 19' ' ' LEU . 2.4 mpt_? -99.46 95.33 6.94 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 105.773 -1.936 . . . . 72.1 105.773 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 58' ' ' ILE . 14.7 t -144.24 -175.09 4.48 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 122.855 0.462 . . . . 72.23 110.217 -170.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -153.49 -16.36 0.14 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.527 1.131 . . . . 74.31 109.794 168.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.17 110.17 3.88 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.921 1.288 . . . . 72.01 109.711 -175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 9.0 ptpp? -59.16 -46.03 89.46 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.087 0.955 . . . . 55.33 112.264 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -66.58 -34.25 77.48 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 123.702 0.626 . . . . 74.12 110.621 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -59.21 -49.1 79.16 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 123.638 0.586 . . . . 74.22 110.813 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.7 -47.84 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 124.453 1.096 . . . . 61.23 110.856 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -62.66 -30.35 71.31 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.624 0.769 . . . . 74.13 111.963 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 45.8 mt-10 -74.58 -42.12 59.28 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.231 0.613 . . . . 73.1 111.228 176.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -77.15 -20.91 54.89 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.441 0.534 . . . . 75.14 112.441 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.7 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.565 0.746 . . . . 74.22 110.977 168.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 6.3 pt-20 -65.87 -28.96 69.35 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.124 0.42 . . . . 63.02 110.519 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 68.9 mmtt -74.55 -43.08 57.44 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.885 -0.598 . . . . 73.34 109.606 175.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.86 -43.02 84.67 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.15 0.98 . . . . 72.12 112.561 -173.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -62.45 -32.74 73.65 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.184 0.594 . . . . 73.23 110.585 175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -71.39 -39.77 70.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.628 0.771 . . . . 74.52 110.502 177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 74.8 mm-40 -70.3 -29.43 66.17 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.026 0.53 . . . . 75.32 110.586 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . 81.15 -8.54 57.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 115.853 -0.612 . . . . 73.31 112.855 -173.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.9 mtt85 -90.23 145.0 31.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 C-N-CA 123.672 0.789 . . . . 64.01 109.792 -178.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.66 148.21 75.24 Favored 'Trans proline' 0 C--N 1.372 1.781 0 C-N-CA 123.031 2.487 . . . . 65.05 113.404 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 tp -107.99 116.17 50.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 108.846 -0.798 . . . . 74.14 108.846 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.4 t -103.21 111.89 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 122.978 0.511 . . . . 75.44 109.845 -174.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mm -105.21 113.98 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.518 0.727 . . . . 74.13 109.946 -176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -94.36 113.01 24.83 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.502 1.121 . . . . 73.31 109.99 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 63' ' ' GLU . 40.7 pt -134.99 158.53 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.51 1.124 . . . . 73.12 110.01 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -93.64 158.74 15.54 Favored 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 109.08 -0.711 . . . . 62.33 109.08 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -57.68 -25.92 56.47 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 115.838 1.095 . . . . 54.3 115.838 -168.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 -48.84 71.13 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.485 0.659 . . . . 71.43 110.629 174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -64.97 -26.62 68.38 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.456 -1.247 . . . . 72.24 112.294 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 58' ' ' ILE . 29.9 tt0 -53.78 -27.85 31.36 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.665 1.358 . . . . 63.33 114.665 -174.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.49 -33.23 43.88 Favored 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.085 0.469 . . . . 63.24 111.544 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 37' ' ' LYS . 66.9 t -69.55 -28.63 38.5 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.981 0 C-N-CA 125.071 1.348 . . . . 74.21 112.534 -177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 70' ' ' VAL . 89.3 t -53.84 -32.66 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 C-N-CA 123.542 0.737 . . . . 74.52 112.394 -175.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -55.33 -36.27 66.06 Favored 'General case' 0 CA--C 1.562 1.409 0 C-N-CA 123.463 0.705 . . . . 73.31 112.19 177.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.29 -42.69 79.14 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 124.182 0.993 . . . . 75.11 110.585 175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.61 -34.73 69.93 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 CA-C-N 114.252 -1.34 . . . . 71.52 110.811 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 80' ' ' VAL . 47.7 t -72.39 -43.68 63.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 124.422 1.089 . . . . 61.45 109.571 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 75' ' ' LYS . 24.4 tt0 -57.16 -45.65 83.44 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.088 0.868 . . . . 71.4 109.909 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -62.48 -43.87 97.76 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 114.869 -1.06 . . . . 71.44 111.241 176.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.04 -29.62 70.53 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.988 0.515 . . . . 53.43 111.276 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -70.66 -34.32 71.9 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.116 0.567 . . . . 71.14 110.623 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 71' ' ' GLU . 71.9 mmtt -63.66 -42.69 98.06 Favored 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 108.982 -0.747 . . . . 71.34 108.982 173.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.48 -35.7 80.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.571 -1.195 . . . . 64.42 111.453 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.28 23.89 35.94 Favored Glycine 0 C--N 1.343 0.932 0 CA-C-N 115.908 -0.587 . . . . 72.44 112.736 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -87.65 140.64 29.31 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.835 0.854 . . . . 74.44 110.35 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.505 ' HB3' HG22 ' A' ' 3' ' ' THR . 0.5 OUTLIER -71.62 121.68 19.21 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.419 -0.956 . . . . 74.4 108.419 177.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.637 HG11 HG22 ' A' ' 70' ' ' VAL . 15.3 t -107.84 130.55 60.06 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 109.279 -0.637 . . . . 73.54 109.279 -173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 128' ' ' SER . 4.7 tp -138.34 109.57 6.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 107.954 -1.128 . . . . 72.54 107.954 178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.746 HG22 HD13 ' A' ' 6' ' ' ILE . 58.0 t -100.33 112.7 33.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 N-CA-C 109.126 -0.694 . . . . 74.24 109.126 -179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.5 mt -101.64 112.16 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.681 1.192 . . . . 62.02 108.47 -174.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.471 ' HD3' HG21 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -130.9 137.4 49.3 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.322 0.649 . . . . 73.41 110.776 -173.056 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.2 t -84.64 104.78 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 N-CA-C 108.5 -0.926 . . . . 71.24 108.5 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.86 117.82 30.14 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.924 0.89 . . . . 61.31 111.536 -171.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -129.99 -5.79 4.47 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.914 0.486 . . . . 65.21 111.071 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 2.8 m-20 -93.99 -37.98 11.39 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.363 0.665 . . . . 61.23 109.446 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 64.5 -74.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.517 1.527 . . . . 74.13 112.482 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.38 -55.25 10.9 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.877 0.871 . . . . 61.42 112.72 -172.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 8.5 tt -65.72 -38.44 89.18 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 109.18 -0.674 . . . . 70.3 109.18 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.676 ' HB2' ' HB2' ' A' ' 88' ' ' ASP . 3.4 tt -62.05 -32.26 72.76 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.279 -1.328 . . . . 74.24 111.993 176.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 96' ' ' TYR . 36.0 tt0 -65.89 -22.28 66.51 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.38 1.072 . . . . 64.1 111.853 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -54.13 -52.49 60.92 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.251 0.621 . . . . 73.23 111.282 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -78.94 -42.73 26.21 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 123.404 0.44 . . . . 65.21 110.88 176.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.743 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 31.1 t80 -51.95 -38.62 57.17 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.692 1.197 . . . . 73.45 112.381 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -72.15 -33.44 67.74 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.858 0.863 . . . . 73.45 110.472 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -58.38 -43.41 88.47 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.977 0.798 . . . . 73.13 110.819 -176.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.24 -45.45 84.55 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 115.354 -0.839 . . . . 64.24 109.534 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.627 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 10.5 mmpt? -61.24 -31.41 71.2 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.237 -0.892 . . . . 72.35 111.327 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -78.37 -37.85 43.21 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.861 0.864 . . . . 70.42 110.623 -178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.9 -44.13 91.15 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.381 0.61 . . . . 73.31 110.007 170.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 117.39 1.78 18.05 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 114.595 -1.184 . . . . 75.01 110.966 -171.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.71 135.39 25.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 124.367 1.067 . . . . 73.5 109.567 179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -93.1 112.1 23.94 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.897 0.856 . . . . 75.12 111.36 -173.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.471 HG21 ' HD3' ' A' ' 84' ' ' LYS . 2.1 p -93.02 131.68 39.37 Favored 'Isoleucine or valine' 0 C--O 1.244 0.767 0 CA-C-N 113.801 -1.545 . . . . 62.53 109.315 173.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.89 108.73 20.02 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.573 0.749 . . . . 70.42 109.783 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG12 ' HG3' ' A' ' 84' ' ' LYS . 5.1 m -103.35 115.55 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 121.437 0.636 . . . . 71.21 109.471 174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.644 ' HB ' ' HB2' ' A' ' 114' ' ' GLU . 41.7 p -91.42 -13.13 32.88 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.244 -0.889 . . . . 65.31 111.009 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.3 t70 69.9 -69.48 0.17 Allowed 'General case' 0 C--N 1.36 1.033 0 C-N-CA 126.089 1.756 . . . . 74.45 110.776 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.625 ' HB2' ' HG2' ' A' ' 114' ' ' GLU . 9.7 m120 -78.92 168.21 20.04 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.968 0.907 . . . . 71.23 111.15 179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -79.2 -51.95 8.8 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.551 1.14 . . . . 61.41 111.261 -173.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.68 -31.25 69.39 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.368 1.067 . . . . 63.23 111.723 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 109' ' ' THR . 7.2 mm-40 -69.83 -38.82 76.66 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.27 0.356 . . . . 65.25 111.018 -177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.87 -35.14 69.71 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 115.944 -0.571 . . . . 71.3 110.311 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.566 ' O ' HG11 ' A' ' 21' ' ' VAL . 9.7 tmtt? -61.39 -55.48 30.95 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.537 1.135 . . . . 72.11 111.018 177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 pttm -63.49 -31.58 72.78 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 122.668 0.387 . . . . 72.45 111.819 177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -63.21 -50.58 69.69 Favored 'General case' 0 C--N 1.348 0.527 0 O-C-N 123.978 0.799 . . . . 72.25 110.603 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 123' ' ' LEU . 69.5 mt -57.86 -37.87 74.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.365 1.041 . . . . 73.01 112.643 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 25' ' ' SER . 25.0 ttpp -63.41 -48.9 75.88 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 110.112 -0.329 . . . . 75.14 110.112 -179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.72 -35.35 77.81 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 114.659 -1.155 . . . . 55.31 111.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.591 ' HB3' ' HA2' ' A' ' 127' ' ' GLY . 49.5 mt -60.08 -51.15 70.86 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 123.699 0.625 . . . . 62.12 110.271 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 22' ' ' VAL . 10.4 mp -63.13 -30.48 71.63 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 124.235 0.959 . . . . 74.14 112.178 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 120' ' ' LYS . 46.4 mt-10 -64.22 -24.06 67.53 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.703 0.627 . . . . 74.33 110.917 176.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -107.5 -86.84 0.49 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 123.429 0.691 . . . . 72.12 109.997 169.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 80.9 t -142.09 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 C-N-CA 124.546 1.139 . . . . 55.33 108.125 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.591 ' HA2' ' HB3' ' A' ' 122' ' ' LEU . . . 179.64 -37.95 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 CA-C-N 115.151 -0.931 . . . . 74.32 110.867 -175.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.673 ' HA ' HD22 ' A' ' 81' ' ' LEU . 35.2 m -77.71 98.68 5.57 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.682 0.793 . . . . 62.42 110.6 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 52.8 tp -81.12 92.71 6.31 Favored 'General case' 0 C--O 1.246 0.875 0 N-CA-C 109.186 -0.672 . . . . 64.13 109.186 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 59.77 -168.87 0.15 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.151 0.98 . . . . 74.15 112.091 171.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -174.31 -28.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.721 1.208 . . . . 74.32 109.086 168.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -66.05 89.33 0.12 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.566 0.746 . . . . 75.31 109.834 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -106.33 127.33 53.18 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.329 -1.36 . . . . 74.23 107.329 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -72.47 -88.79 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 119.01 -0.519 . . . . 74.34 109.944 -176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 2.2 p80 169.12 -171.07 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.403 1.481 . . . . 72.45 108.814 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 C--O 1.251 1.137 0 N-CA-C 108.763 -0.829 . . . . 74.51 108.763 171.682 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.2 ttm . . . . . 0 N--CA 1.478 0.942 0 N-CA-C 110.361 -0.237 . . . . 73.31 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.51 33.28 39.31 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 123.501 0.5 . . . . 14.12 112.387 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.429 HG21 ' HA3' ' A' ' 127' ' ' GLY . 9.0 m -66.79 124.26 22.42 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 123.209 0.604 . . . . 74.32 109.996 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.4 t -91.15 111.51 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 106.425 -1.694 . . . . 53.5 106.425 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 55' ' ' VAL . 23.1 m -114.49 113.54 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.562 0.745 . . . . 54.44 109.036 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.24 104.59 16.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.39 -0.967 . . . . 60.53 108.39 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 83' ' ' ILE . 87.6 t -89.58 112.69 24.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 109.38 -0.6 . . . . 74.01 109.38 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.572 HG11 ' HB2' ' A' ' 63' ' ' GLU . 11.4 t -114.76 150.4 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.953 0.901 . . . . 72.14 109.068 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 p -157.86 154.38 27.89 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 109.261 -0.644 . . . . 55.35 109.261 169.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -73.36 -25.51 60.62 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.284 -0.871 . . . . 72.52 110.76 178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -108.76 121.09 44.33 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.634 -0.876 . . . . 51.23 108.634 175.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.96 -15.5 60.67 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.464 0.913 . . . . 75.33 113.464 -174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -75.14 -27.01 59.58 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.416 0.553 . . . . 73.53 110.586 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.8 mt -60.32 -42.21 89.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 N-CA-C 108.852 -0.796 . . . . 74.53 108.852 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.8 -41.13 90.56 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 122.789 0.436 . . . . 72.53 111.734 174.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.7 -45.34 75.4 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.474 0.709 . . . . 74.14 111.474 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 21' ' ' VAL . 37.1 tt0 -63.24 -52.8 60.67 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.552 0.532 . . . . 70.44 110.112 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.73 -27.13 69.06 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.528 1.131 . . . . 70.51 111.338 -177.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD13 ' HD2' ' A' ' 33' ' ' ARG . 58.7 tp -58.55 -53.18 61.19 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.526 0.73 . . . . 72.14 110.217 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -65.64 -29.63 70.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 124.446 1.091 . . . . 73.25 111.211 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.623 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 57.9 t -63.12 -40.75 90.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.694 0.797 . . . . 71.32 110.568 174.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.7 HG13 HD21 ' A' ' 123' ' ' LEU . 84.5 t -70.96 -45.43 72.95 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-N 116.252 -0.431 . . . . 75.15 110.292 176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.19 -48.13 81.27 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.008 0.923 . . . . 64.13 112.901 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 21' ' ' VAL . 64.1 pttt -69.31 -36.33 76.88 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.469 0.308 . . . . 73.11 110.539 -174.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.0 m -70.44 -38.82 74.58 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 123.102 0.561 . . . . 62.42 110.041 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -167.74 112.51 0.61 Allowed Pre-proline 0 CA--C 1.555 1.143 0 O-C-N 123.805 0.691 . . . . 73.21 110.094 179.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -79.29 -4.34 13.67 Favored 'Trans proline' 0 C--N 1.378 2.106 0 C-N-CA 123.206 2.604 . . . . 74.53 113.309 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -86.6 -27.45 23.87 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 122.952 0.501 . . . . 74.55 110.179 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 HG23 ' A' ' 55' ' ' VAL . 41.6 t -58.26 123.21 9.63 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 N-CA-C 109.004 -0.739 . . . . 63.13 109.004 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -75.63 82.68 2.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.356 0.662 . . . . 71.14 111.191 -167.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -80.39 106.85 12.71 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 109.9 -0.407 . . . . 54.44 109.9 178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 34' ' ' THR . 49.9 t -113.42 113.65 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 N-CA-C 107.783 -1.191 . . . . 62.1 107.783 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.729 ' HG3' ' HB2' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -101.27 92.18 4.84 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 108.204 -1.036 . . . . 73.44 108.204 -178.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 32' ' ' VAL . 14.9 t 177.14 158.13 0.35 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.549 1.14 . . . . 72.42 109.032 179.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' HB2' HG21 ' A' ' 58' ' ' ILE . 14.2 t0 -143.05 101.69 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 107.654 -1.239 . . . . 50.11 107.654 166.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 39' ' ' LYS . 31.9 t70 -111.59 21.07 16.53 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.318 1.047 . . . . 71.24 108.57 175.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HG2' HG11 ' A' ' 65' ' ' VAL . 38.5 mtpt 64.84 -80.56 0.03 OUTLIER 'General case' 0 C--N 1.362 1.124 0 C-N-CA 125.207 1.403 . . . . 74.43 111.199 175.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.17 -36.4 81.74 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 123.707 0.803 . . . . 75.42 111.094 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.616 ' HB3' ' HB3' ' A' ' 36' ' ' ASP . 50.9 tttp -64.37 -33.84 76.78 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 123.551 0.74 . . . . 70.42 112.538 -176.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 44' ' ' ILE . 15.7 t -60.38 -30.68 46.84 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.232 0 N-CA-C 110.303 -0.258 . . . . 53.33 110.303 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -64.89 -40.92 95.85 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.615 0.766 . . . . 73.31 111.548 176.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 8.8 pt-20 -68.02 -31.64 71.46 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 109.71 -0.478 . . . . 61.0 109.71 178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -69.56 -37.85 77.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.468 0.707 . . . . 63.14 110.725 177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.645 HG23 HD12 ' A' ' 78' ' ' LEU . 81.4 mt -65.01 -35.85 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 124.095 0.958 . . . . 62.42 110.271 174.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.21 -44.65 91.27 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.656 -0.702 . . . . 71.13 110.204 178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -62.83 -40.29 96.94 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.207 -0.906 . . . . 70.23 110.38 176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.667 ' HA ' HE21 ' A' ' 50' ' ' GLN . . . -65.47 -44.01 88.52 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.696 0.798 . . . . 74.04 112.895 -172.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.566 ' HB3' HD11 ' A' ' 78' ' ' LEU . 13.3 ptm180 -73.32 -28.47 62.09 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.186 0.304 . . . . 72.14 110.921 178.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -73.21 -46.47 50.22 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 123.789 0.835 . . . . 72.43 110.799 -177.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.667 HE21 ' HA ' ' A' ' 47' ' ' ALA . 29.9 pt20 -76.92 -21.41 54.89 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.727 0.811 . . . . 75.52 110.852 176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.87 66.5 Favored Glycine 0 C--N 1.352 1.452 0 O-C-N 123.703 0.627 . . . . 34.31 113.394 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.8 152.86 45.14 Favored Pre-proline 0 N--CA 1.476 0.854 0 C-N-CA 123.462 0.705 . . . . 75.34 109.854 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.99 145.74 80.53 Favored 'Trans proline' 0 C--N 1.374 1.886 0 C-N-CA 121.922 1.748 . . . . 71.24 111.093 168.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.6 tt -120.5 127.92 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.478 0.711 . . . . 63.45 109.655 -178.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 5' ' ' VAL . 3.0 t -108.05 110.25 31.26 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 C-N-CA 122.939 0.496 . . . . 64.23 110.344 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.46 110.65 23.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.9 -0.778 . . . . 71.41 108.9 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.729 ' HB2' ' HG3' ' A' ' 33' ' ' ARG . 87.6 m-85 -94.91 115.2 27.17 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.3 0.64 . . . . 74.44 109.513 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.654 ' HB ' ' HB2' ' A' ' 62' ' ' TYR . 14.6 pt -146.26 167.48 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.331 1.052 . . . . 72.43 111.0 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -99.79 166.91 10.86 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.943 0.897 . . . . 65.2 109.51 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.61 26.09 Favored Glycine 0 N--CA 1.481 1.643 0 N-CA-C 115.392 0.917 . . . . 61.35 115.392 -176.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.19 57.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.317 0.647 . . . . 64.5 110.767 173.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.654 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . 47.7 m-85 -72.67 -29.02 63.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.804 1.241 . . . . 71.31 110.981 -176.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' HB2' HG11 ' A' ' 8' ' ' VAL . 29.7 tt0 -49.98 -34.43 20.96 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.488 1.515 . . . . 74.01 111.604 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -55.38 -45.87 76.56 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.56 1.144 . . . . 74.03 112.283 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.587 HG11 ' HG2' ' A' ' 37' ' ' LYS . 54.7 t -65.99 -28.95 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.62 0.768 . . . . 71.14 111.918 -174.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG23 ' A' ' 70' ' ' VAL . 78.3 t -52.58 -41.37 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.422 0.689 . . . . 65.02 112.068 -174.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.541 ' HG3' ' HB3' ' A' ' 98' ' ' GLN . 4.1 tmt_? -54.96 -38.59 67.96 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.991 0.916 . . . . 63.52 111.618 -177.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.23 -46.87 66.29 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.694 0.798 . . . . 52.42 109.818 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 61.5 mt -62.39 -33.68 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 125.114 1.366 . . . . 75.42 112.318 -176.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG12 HE21 ' A' ' 74' ' ' GLN . 78.6 t -56.08 -39.11 56.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 123.815 0.846 . . . . 71.11 111.908 -175.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.46 -35.09 71.61 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.064 0.545 . . . . 74.0 111.374 -177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -66.8 -45.29 78.83 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 116.067 -0.515 . . . . 73.11 110.284 175.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' A' ' 44' ' ' ILE . . . -65.33 -32.4 74.03 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 122.387 0.275 . . . . 44.32 111.274 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.612 HE21 HG12 ' A' ' 70' ' ' VAL . 76.3 mt-30 -64.69 -51.52 62.03 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.362 0.665 . . . . 73.33 110.755 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.54 -32.89 74.72 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.408 0.442 . . . . 73.51 111.264 -177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' HB3' ' HD2' ' A' ' 48' ' ' ARG . 21.3 mm-40 -77.61 1.68 18.89 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.577 0.751 . . . . 75.42 112.22 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.66 32.26 59.58 Favored Glycine 0 C--N 1.353 1.514 0 O-C-N 123.254 0.346 . . . . 74.33 112.79 174.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.645 HD12 HG23 ' A' ' 44' ' ' ILE . 58.1 mt -110.33 121.59 45.65 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.789 0.836 . . . . 61.31 108.982 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.18 128.75 37.34 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 108.053 -1.092 . . . . 74.45 108.053 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 HG13 ' A' ' 70' ' ' VAL . 25.4 t -105.93 132.05 53.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.585 0 N-CA-C 108.436 -0.95 . . . . 74.35 108.436 -172.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.476 ' HB3' HG12 ' A' ' 5' ' ' VAL . 19.8 tp -136.21 107.98 7.06 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 107.123 -1.436 . . . . 72.34 107.123 -173.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 HD23 ' A' ' 99' ' ' LEU . 8.4 m -97.99 111.34 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 109.054 -0.721 . . . . 71.4 109.054 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' VAL . 32.8 mt -105.75 108.7 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 107.495 -1.298 . . . . 74.15 107.495 -179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.435 ' HE3' HD11 ' A' ' 92' ' ' LEU . 52.8 pttt -130.68 134.49 46.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.859 0.754 . . . . 71.34 111.451 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 42.4 t -86.65 116.04 28.61 Favored 'Isoleucine or valine' 0 C--O 1.244 0.809 0 CA-C-N 114.959 -1.019 . . . . 75.04 108.289 175.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.95 -179.13 6.17 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 114.859 -1.064 . . . . 74.12 108.463 178.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -133.55 -176.9 4.31 Favored 'General case' 0 C--O 1.249 1.034 0 N-CA-C 107.563 -1.273 . . . . 75.13 107.563 179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -67.75 86.53 0.22 Allowed 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 123.37 0.668 . . . . 74.23 110.248 -178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.613 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 16.2 mm100 -118.32 146.36 44.4 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.757 1.223 . . . . 72.11 109.083 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -74.98 -44.43 48.31 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.687 -0.857 . . . . 64.24 108.687 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.3 tp -57.7 -27.77 63.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 125.232 1.413 . . . . 63.32 112.067 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.613 ' HB2' ' HB2' ' A' ' 89' ' ' GLN . 56.5 tp -57.01 -47.84 79.91 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.417 0.687 . . . . 74.41 111.41 -175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -66.92 -26.09 66.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 124.245 0.966 . . . . 75.43 111.601 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.91 -47.8 81.72 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.563 0.745 . . . . 55.44 111.536 -172.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -78.93 -47.23 16.8 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.379 0.272 . . . . 74.02 110.529 172.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -52.56 -29.57 26.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.036 1.334 . . . . 65.1 112.727 -175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -63.39 -39.43 94.5 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.942 0.897 . . . . 75.12 110.883 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.541 ' HB3' ' HG3' ' A' ' 67' ' ' ARG . 1.2 mp0 -57.05 -34.67 68.49 Favored 'General case' 0 N--CA 1.493 1.708 0 C-N-CA 123.727 0.811 . . . . 72.13 112.196 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.532 HD23 HG21 ' A' ' 82' ' ' VAL . 2.5 mp -65.3 -42.3 93.19 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.019 0.928 . . . . 75.12 108.748 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -76.2 -28.33 57.19 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.893 -1.049 . . . . 63.43 111.225 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.67 -43.21 69.57 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.719 1.207 . . . . 64.51 110.595 -175.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -91.76 -26.59 18.5 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.552 -0.749 . . . . 63.4 111.69 -176.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.27 74.45 0.95 Allowed Glycine 0 C--N 1.344 1.014 0 N-CA-C 111.985 -0.446 . . . . 71.24 111.985 175.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.58 HG22 HG11 ' A' ' 70' ' ' VAL . 47.6 t -130.99 131.69 64.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 124.347 1.059 . . . . 65.21 108.379 176.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -71.75 109.5 5.68 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 123.953 0.783 . . . . 74.32 109.569 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.7 m -92.8 141.91 13.95 Favored 'Isoleucine or valine' 0 C--O 1.244 0.814 0 C-N-CA 123.451 0.7 . . . . 65.51 110.232 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.5 mmt85 -129.03 105.27 8.08 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 106.689 -1.597 . . . . 73.43 106.689 172.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.13 112.9 41.04 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 N-CA-C 107.351 -1.352 . . . . 73.2 107.351 175.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 115' ' ' ALA . 41.7 p -89.77 -20.76 23.15 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-N 115.344 -0.844 . . . . 64.11 110.807 -175.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 33.3 t70 63.61 21.53 12.76 Favored 'General case' 0 CA--C 1.559 1.317 0 C-N-CA 124.313 1.045 . . . . 64.04 110.839 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.414 HD22 ' HB2' ' A' ' 114' ' ' GLU . 37.3 t30 -163.77 140.76 7.01 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.967 0.907 . . . . 54.12 109.602 -176.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -64.37 -54.76 27.82 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 124.982 1.313 . . . . 64.51 112.401 -174.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.73 -27.85 60.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.655 0.782 . . . . 73.13 110.907 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.414 ' HB2' HD22 ' A' ' 111' ' ' ASN . 15.3 tp10 -66.36 -34.18 77.4 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.741 0.416 . . . . 75.01 110.895 177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.519 ' HA ' HG21 ' A' ' 109' ' ' THR . . . -68.52 -36.06 78.34 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 122.525 0.33 . . . . 61.53 110.489 173.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.443 ' HG3' HG21 ' A' ' 21' ' ' VAL . 49.4 tttt -62.26 -43.69 98.26 Favored 'General case' 0 CA--C 1.553 1.084 0 O-C-N 124.184 0.928 . . . . 74.03 111.044 177.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -60.31 -49.02 79.27 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 123.35 0.66 . . . . 74.41 109.471 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 122' ' ' LEU . 0.0 OUTLIER -65.06 -31.26 72.39 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 113.754 -1.566 . . . . 73.11 111.138 -170.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 mt -61.61 -54.07 47.84 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 123.433 0.458 . . . . 73.31 111.22 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 124' ' ' GLU . 59.6 tttm -65.53 -38.59 90.09 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 123.721 0.638 . . . . 74.13 110.068 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -53.45 -50.48 65.19 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.509 1.124 . . . . 45.45 111.182 174.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 118' ' ' ARG . 65.0 mt -73.4 -28.54 62.06 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 114.926 -1.034 . . . . 71.12 110.853 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.7 HD21 HG13 ' A' ' 22' ' ' VAL . 5.3 mp -67.44 -34.96 78.28 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.818 0.847 . . . . 53.5 110.781 175.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 120' ' ' LYS . 41.9 mm-40 -59.48 -23.8 63.05 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 123.572 0.545 . . . . 73.11 111.374 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.417 ' HG2' ' HB2' ' A' ' 129' ' ' LEU . 27.3 ttmt -133.7 21.63 3.91 Favored 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 123.243 0.617 . . . . 65.22 111.282 -170.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 41.4 t 54.2 82.81 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 C-N-CA 125.352 1.461 . . . . 64.12 112.172 177.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.429 ' HA3' HG21 ' A' ' 3' ' ' THR . . . 74.86 -74.97 1.31 Allowed Glycine 0 C--N 1.347 1.185 0 CA-C-N 115.958 -0.564 . . . . 72.44 112.982 176.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.1 t -173.93 114.06 0.2 Allowed 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 107.765 -1.198 . . . . 63.31 107.765 176.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.417 ' HB2' ' HG2' ' A' ' 125' ' ' LYS . 40.6 tp -70.76 -73.95 0.16 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 109.536 -0.542 . . . . 72.4 109.536 178.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -170.05 -168.49 0.75 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.651 0.78 . . . . 61.41 110.185 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 56.57 84.51 0.09 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.253 1.021 . . . . 74.03 111.573 168.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -59.44 122.06 13.04 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.293 -0.867 . . . . 74.42 110.642 -175.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -79.8 -76.03 0.23 Allowed 'General case' 0 C--O 1.243 0.736 0 N-CA-C 108.621 -0.881 . . . . 72.0 108.621 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t60 52.65 54.12 11.1 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.2 1.0 . . . . 72.52 110.175 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -74.02 88.84 1.9 Allowed 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 115.279 -0.873 . . . . 71.51 109.165 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.176 0.991 . . . . 61.31 108.585 -177.951 . . . . . . . . 0 0 . 1 stop_ save_