data_2koo_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 2koo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.727 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 33.7 p . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 1.45 108.04 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.433 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.727 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 1.07 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 4' ' ' GLN . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 1.05 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 1.07 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.19 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 1.08 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 1.06 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 1.12 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.636 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 1.03 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 1.12 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 1.12 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.28 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.721 HG21 HD11 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 1.06 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.41 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 1.59 112.131 -175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 1.05 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.46 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.8 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 2.06 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.577 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.86 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.82 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 1.06 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HB3' HD13 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG23 ' CB ' ' A' ' 19' ' ' ALA . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 1.39 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 1.02 112.505 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 1.44 108.482 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 1.14 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 1.14 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 1.19 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.776 ' HA ' HG22 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 1.03 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.94 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 1.49 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB3' HD11 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 1.03 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 1.03 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 2.56 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.4 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.81 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 2.09 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 1.22 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.81 109.034 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.664 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.664 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 1.43 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 1.49 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.817 HD11 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 1.12 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 3.34 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 1.07 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.76 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 1.05 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.24 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 1.11 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.621 ' HA ' HG23 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 1.0 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 74' ' ' LYS . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.47 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.562 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 1.08 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 1.57 109.126 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.97 112.681 -176.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.705 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.3 p . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 106.906 -1.516 . . . . 1.45 106.906 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.705 ' HB2' ' H ' ' A' ' 3' ' ' THR . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 1.07 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 HG11 HG13 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 1.05 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 1.07 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.19 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 1.08 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 1.06 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.808 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 1.12 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 1.03 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.565 HD12 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 1.12 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 1.12 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.28 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.657 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 1.06 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.41 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 1.59 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.418 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 1.05 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.46 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.839 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.8 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 2.06 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.86 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.767 ' CE2' HG23 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.82 111.483 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 1.06 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB3' HD12 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 43' ' ' MET . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 1.39 107.273 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 1.02 111.264 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 1.44 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 1.14 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.536 ' HE3' HG23 ' A' ' 38' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 1.14 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 1.19 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.565 ' HB2' HD12 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.808 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 1.03 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 58' ' ' ILE . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.94 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 1.49 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 1.03 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 1.03 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' OE2' ' HG2' ' A' ' 57' ' ' LYS . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 2.56 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.4 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG11 ' N ' ' A' ' 57' ' ' LYS . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.81 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 2.09 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 1.22 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.81 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 1.43 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 1.49 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 1.12 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 3.34 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 1.07 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 1.05 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.483 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.24 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 1.11 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.6 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 1.0 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.47 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.517 HG12 HD12 ' A' ' 58' ' ' ILE . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 1.08 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 1.57 109.733 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.97 112.289 -176.011 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.704 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 72.7 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 1.45 105.761 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.7 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.704 ' HB2' ' H ' ' A' ' 3' ' ' THR . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.691 HG23 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 1.07 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 1.05 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 1.07 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.19 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 1.08 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 1.06 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 1.12 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.618 HG11 ' HB ' ' A' ' 21' ' ' ILE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 1.03 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.574 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 1.12 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 1.12 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.28 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.618 ' HB ' HG11 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 1.06 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.41 113.396 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 1.59 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG11 HG13 ' A' ' 8' ' ' VAL . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 1.05 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.46 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.8 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.597 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 2.06 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.826 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.86 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.82 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.597 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 1.06 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.43 HG21 ' HE1' ' A' ' 43' ' ' MET . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 1.39 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 1.02 114.199 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 1.44 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 1.14 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.43 ' HE1' HG21 ' A' ' 38' ' ' VAL . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 1.14 111.165 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 1.19 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.574 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.779 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 1.03 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.94 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 1.49 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 1.03 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 1.03 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 2.56 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.4 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.81 110.317 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 2.09 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.73 HG23 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 1.22 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.81 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 1.43 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 1.49 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 1.12 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 3.34 115.811 -176.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 1.07 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 1.05 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.467 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.24 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 1.11 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.691 ' HA ' HG23 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 1.0 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.47 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 1.0 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD12 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 1.08 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 1.57 110.193 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.97 113.42 -176.66 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.68 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 49.8 p . . . . . 0 N--CA 1.437 -1.084 0 N-CA-C 108.033 -1.099 . . . . 1.45 108.033 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.8 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.68 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.576 HG22 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 1.07 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 1.05 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 1.07 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.19 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.494 ' O ' HG21 ' A' ' 15' ' ' VAL . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 1.08 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 1.06 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 1.12 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG23 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 1.03 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.586 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 1.12 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 1.12 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.28 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.785 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 1.06 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.41 112.296 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 1.59 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 1.05 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.46 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.877 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.8 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 2.06 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.771 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.86 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.657 ' CE1' HG23 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.82 109.881 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.771 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 1.06 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HB3' HD12 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 1.39 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 1.02 113.648 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 1.44 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 1.14 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 1.14 111.317 -171.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 1.19 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.586 ' HB2' HD12 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG22 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 1.03 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.94 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 1.49 112.11 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 1.03 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 1.03 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.682 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 2.56 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.4 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.81 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.676 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 2.09 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.682 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 1.22 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.81 109.996 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 1.43 112.944 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 1.49 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 1.12 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 3.34 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 1.07 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.877 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 1.05 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.489 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.24 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.828 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 1.11 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' HG22 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 1.0 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.47 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 1.0 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.504 HG12 HD13 ' A' ' 58' ' ' ILE . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 1.08 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 1.57 108.798 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.47 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 . . . . . 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.97 113.815 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.703 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.8 p . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 1.45 106.051 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 1.07 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 1.05 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 1.07 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.19 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 1.08 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 1.06 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 1.12 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.707 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 1.03 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.566 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 1.12 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 1.12 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.28 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 1.06 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.41 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 1.59 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 1.05 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.46 105.785 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.8 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 2.06 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.86 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.707 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.82 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 1.06 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 1.39 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 1.02 111.473 -170.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 39' ' ' ASP . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 1.44 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 1.14 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.402 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 1.14 110.301 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 1.19 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.816 ' HA ' HG23 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 1.03 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.94 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 1.49 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 1.03 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 1.03 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.664 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 2.56 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.73 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.4 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.81 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 2.09 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.664 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 1.22 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.81 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.501 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 1.43 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 1.49 111.373 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 1.12 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 3.34 115.259 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 1.07 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 1.05 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.575 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.24 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.495 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.791 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 1.11 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.661 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 1.0 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.47 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 1.0 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD12 ' A' ' 58' ' ' ILE . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 1.08 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HB2' ' CD1' ' A' ' 7' ' ' ILE . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 1.57 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.97 113.828 -179.415 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.679 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 30.9 p . . . . . 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 1.45 107.817 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 1.07 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 1.05 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 1.07 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.19 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 1.08 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 1.06 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 1.12 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.589 HG23 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 1.03 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 1.12 111.704 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 1.12 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.28 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.538 HG22 HD11 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 1.06 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.41 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.502 ' N ' HD22 ' A' ' 16' ' ' ASN . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 1.59 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 1.05 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.46 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.842 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.8 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 2.06 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.86 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.541 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.82 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 1.06 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 1.39 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.541 ' HB3' ' CG2' ' A' ' 33' ' ' THR . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 1.02 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 1.44 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 1.14 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 1.14 110.253 -173.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 1.19 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 1.03 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.94 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 1.49 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 1.03 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 1.03 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 2.56 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.4 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.81 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 2.09 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.663 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 1.22 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.81 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.505 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 1.43 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 1.49 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 1.12 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 3.34 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 1.07 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.842 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.24 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.549 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 1.11 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.625 ' HA ' HG23 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 1.0 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.47 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 1.0 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.663 HG12 HD12 ' A' ' 58' ' ' ILE . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 1.08 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' THR . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 1.57 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.97 112.704 -177.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.0 p . . . . . 0 N--CA 1.433 -1.322 0 N-CA-C 107.552 -1.277 . . . . 1.45 107.552 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.672 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 1.07 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 1.05 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 1.07 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.19 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.577 ' O ' HG22 ' A' ' 15' ' ' VAL . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 1.08 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 1.06 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.726 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 1.12 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.598 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 1.03 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 1.12 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 1.12 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.28 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 1.06 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.41 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 1.59 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 1.05 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.46 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.8 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 2.06 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.626 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.86 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.641 ' CE2' HG21 ' A' ' 69' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.82 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 1.06 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 1.39 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 1.02 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 1.44 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 1.14 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 1.14 110.616 -172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 1.19 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' HB2' HD12 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 1.03 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.94 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 1.49 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 1.03 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 1.03 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 2.56 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.4 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.81 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 2.09 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD13 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 1.22 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.81 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.615 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 1.43 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 1.49 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 1.12 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 3.34 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 1.07 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.707 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 1.05 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.24 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 1.11 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 1.0 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.47 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 1.0 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CG1' HD13 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 1.08 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 1.57 110.485 -174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.97 113.701 -175.676 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.721 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 14.7 p . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 108.521 -0.918 . . . . 1.45 108.521 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.721 ' HB2' ' H ' ' A' ' 3' ' ' THR . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 ' HB ' HG21 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 1.07 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 1.05 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 1.07 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.19 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 1.08 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 1.06 112.585 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 1.12 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 1.03 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.558 HD22 ' N ' ' A' ' 23' ' ' VAL . 7.3 m-80 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 1.12 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 1.12 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.28 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 1.06 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.41 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.558 ' N ' HD22 ' A' ' 16' ' ' ASN . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 1.59 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 1.05 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.46 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.8 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 2.06 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.893 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.86 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.82 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.893 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 1.06 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HE2' ' A' ' 43' ' ' MET . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 1.39 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' HG12 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 1.02 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 1.44 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.567 ' O ' HG21 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 1.14 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.58 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 1.14 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 1.19 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HA ' HG23 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 1.03 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.94 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 1.49 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 1.03 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 1.03 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 2.56 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.4 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.81 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 2.09 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.727 HG21 HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 1.22 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.81 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.632 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.794 HG22 HG21 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 1.43 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 1.49 112.863 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 58' ' ' ILE . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 1.12 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 3.34 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 1.07 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 1.05 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.24 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 1.11 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.588 HG21 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.47 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 1.08 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 1.57 109.376 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.97 113.081 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.66 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 32.1 p . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.941 -0.763 . . . . 1.45 108.941 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 1.07 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 1.05 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 1.07 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.19 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 1.08 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 1.06 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.809 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 1.12 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 1.03 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 1.12 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 1.12 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.28 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.659 HG23 HD12 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 1.06 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.41 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 1.59 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD12 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 1.05 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.46 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.8 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 2.06 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.647 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.86 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.82 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.483 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD12 HG23 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 1.06 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 1.39 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 41' ' ' LEU . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.449 ' H ' HG13 ' A' ' 38' ' ' VAL . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 1.02 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 1.44 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 1.14 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 1.14 111.098 -177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 1.19 110.977 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.809 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 1.03 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.94 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.48 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 1.49 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 1.03 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 1.03 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 2.56 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.4 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.81 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.683 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 2.09 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.579 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 1.22 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.81 109.743 177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.546 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.546 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 1.43 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 1.49 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 1.12 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 3.34 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 1.07 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 1.05 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.24 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.849 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 1.11 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 1.0 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.47 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 1.0 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 7' ' ' ILE . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 1.08 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 1.57 108.967 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CB ' HG11 ' A' ' 56' ' ' VAL . 26.0 m-70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.97 112.902 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 29.4 p . . . . . 0 N--CA 1.437 -1.116 0 N-CA-C 107.876 -1.157 . . . . 1.45 107.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 1.07 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 1.05 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 1.07 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.19 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 1.08 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 1.06 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.743 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 1.03 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.495 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 1.12 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 1.12 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.28 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 1.06 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.41 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.604 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 1.59 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 1.05 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.46 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.8 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 2.06 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.86 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.838 ' CE2' HG23 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.677 HG23 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.82 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.476 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 1.06 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 1.39 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 1.02 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 1.44 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.478 ' HA ' HG22 ' A' ' 18' ' ' ILE . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 1.14 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.646 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 1.14 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG21 ' A' ' 48' ' ' VAL . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 1.19 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.743 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 1.03 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.674 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.94 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.47 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 1.49 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 1.03 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 1.03 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.674 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 2.56 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.4 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.81 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 2.09 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 1.22 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.81 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.503 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.503 ' HB ' ' O ' ' A' ' 60' ' ' ASP . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 1.43 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 1.49 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 1.12 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 68' ' ' THR . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 3.34 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 67' ' ' LYS . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 1.07 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.838 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 1.05 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.649 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.24 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 1.11 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 1.0 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.47 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.664 HG12 HD12 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 1.08 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 1.57 112.237 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.97 112.074 -177.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.69 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 22.3 p . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 1.45 107.629 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.406 ' O ' HG21 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.69 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.677 HG23 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 1.07 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG13 HG13 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 1.05 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 1.07 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.19 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 1.08 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 1.06 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 1.12 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.646 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 1.03 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 1.12 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 1.12 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.28 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 HD12 ' A' ' 36' ' ' LEU . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 1.06 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.41 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 1.59 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 1.05 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.46 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.762 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.8 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' HG21 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 2.06 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.86 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.646 ' CE1' HG23 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.82 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 1.06 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 HG23 ' HE3' ' A' ' 43' ' ' MET . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 1.39 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 1.02 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 1.44 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 1.14 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.54 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 1.14 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 1.19 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.734 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 1.03 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.94 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.405 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 1.49 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 1.03 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 1.03 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 2.56 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.4 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.81 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 2.09 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 1.22 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.81 108.518 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.532 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 1.43 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 1.49 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 1.12 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 3.34 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.541 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 1.07 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 1.05 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.48 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.24 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.541 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 1.11 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.677 ' HA ' HG23 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.47 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 1.0 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 1.08 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 1.57 108.483 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.97 111.77 177.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.715 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.7 p . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 1.45 108.758 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.715 ' HB2' ' H ' ' A' ' 3' ' ' THR . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 1.07 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 1.05 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 1.07 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.19 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG21 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 1.08 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 1.06 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.75 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 1.12 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 1.03 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 1.12 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 1.12 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.28 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.594 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 1.06 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.41 111.921 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 1.59 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 1.05 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.46 106.107 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.74 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.8 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 2.06 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.648 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.86 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.461 HG23 HG13 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.82 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.594 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 1.06 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 1.39 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 1.02 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 1.44 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 1.14 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.465 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 1.14 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 1.19 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.75 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 1.03 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.646 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.94 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 1.49 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 1.03 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 1.03 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 2.56 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.4 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.81 112.512 -171.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.668 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 2.09 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 1.22 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.81 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 1.43 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 1.49 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.842 HD11 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 1.12 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 3.34 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 1.07 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.74 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 1.05 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.24 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 1.11 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 1.0 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.47 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 1.0 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 1.08 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 1.57 109.373 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.97 113.757 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.712 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.1 p . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 1.45 107.976 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.712 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 1.07 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.45 HG12 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 1.05 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 1.07 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.19 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG21 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 1.08 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 1.06 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.801 HG22 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 1.12 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.611 HG23 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 1.03 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 1.12 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 1.12 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.28 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 1.06 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.41 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.601 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 1.59 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.45 HG12 HG12 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 1.05 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.46 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.8 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 2.06 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.705 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.86 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' HG22 ' A' ' 69' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.82 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.52 HD11 HG22 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 1.06 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 19' ' ' ALA . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 1.39 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 41' ' ' LEU . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.446 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 1.02 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.413 ' H ' ' C ' ' A' ' 39' ' ' ASP . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 1.44 107.128 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 1.14 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.512 ' O ' HG22 ' A' ' 47' ' ' VAL . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 1.14 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 1.19 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.801 ' HA ' HG22 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 1.03 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.688 HG21 HG23 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.94 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 1.49 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 1.03 108.43 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 1.03 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 2.56 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.4 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.81 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.639 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 2.09 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 1.22 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.81 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.526 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.636 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.507 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 1.43 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.636 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 1.49 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 1.12 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 3.34 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 1.07 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 1.05 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.24 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 1.11 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.554 ' HA ' HG23 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 1.0 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.47 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 1.0 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 1.08 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 1.57 110.653 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 . . . . . 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.97 112.973 -177.609 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.8 p . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 1.45 108.721 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.685 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG21 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 1.07 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.457 HG11 HG11 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 1.05 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 1.07 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.19 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 15' ' ' VAL . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 1.08 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 1.06 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 1.12 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 1.03 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.602 HD22 ' N ' ' A' ' 23' ' ' VAL . 8.7 m-80 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.431 HG21 ' HA ' ' A' ' 42' ' ' SER . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 1.12 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 1.12 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.28 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.69 HG22 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 1.06 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.41 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.602 ' N ' HD22 ' A' ' 16' ' ' ASN . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 1.59 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG11 HG11 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.05 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.46 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.798 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.8 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 2.06 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.86 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.82 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.69 HD13 HG22 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 1.06 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 1.39 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 1.02 115.358 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' ASP . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 1.44 108.308 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.54 ' O ' HG21 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 1.14 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 1.14 111.273 -172.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 1.19 109.176 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 1.03 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.94 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 1.49 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 1.03 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 1.03 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 2.56 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.4 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.81 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 2.09 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.609 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 1.22 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.81 110.097 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 1.43 112.432 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 1.49 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 1.12 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 3.34 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 1.07 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.798 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 1.05 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.24 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.808 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 1.11 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.603 HG21 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 1.0 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.47 106.651 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 1.0 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 1.08 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 1.57 108.409 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.97 112.797 -177.78 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.681 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 47.4 p . . . . . 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 1.45 107.858 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.681 ' HB2' ' H ' ' A' ' 3' ' ' THR . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 1.07 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 1.05 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 1.07 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.19 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 1.08 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 1.06 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 1.12 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 1.03 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG23 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 1.12 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 1.12 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.28 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 1.06 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.41 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 1.59 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG11 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 1.05 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.46 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.8 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.638 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 2.06 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.798 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.86 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.82 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.638 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 1.06 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 1.39 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.402 ' H ' HG12 ' A' ' 38' ' ' VAL . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 1.02 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 1.44 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 1.14 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 1.14 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 1.19 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.806 ' HA ' HG23 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 1.03 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 43' ' ' MET . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.94 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 1.49 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 1.03 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 1.03 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.699 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 2.56 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.4 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 76' ' ' ILE . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.81 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 2.09 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 1.22 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.81 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 1.43 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 1.49 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 1.12 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 3.34 115.273 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 1.07 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 1.05 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.24 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.845 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 1.11 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 1.0 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.47 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 72' ' ' ALA . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 1.08 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.402 ' HB2' ' CD1' ' A' ' 7' ' ' ILE . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 1.57 110.485 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.97 112.348 -176.812 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.763 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p . . . . . 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 1.45 108.698 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.763 ' HB3' ' H ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 1.07 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 1.05 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 1.07 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.19 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HG21 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 1.08 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 1.06 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.79 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 1.12 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.573 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 1.03 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.51 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 1.12 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 1.12 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.28 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 1.06 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.41 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 1.59 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 1.05 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.46 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.888 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.8 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 2.06 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.86 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.81 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.82 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.597 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 1.06 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 43' ' ' MET . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 1.39 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 1.02 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 39' ' ' ASP . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 1.44 107.036 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 1.14 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.56 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 1.14 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.457 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 1.19 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB2' HD12 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.79 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 1.03 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.593 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.94 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.579 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 1.49 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 1.03 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 1.03 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 2.56 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.4 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.81 111.729 -175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.64 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 2.09 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 1.22 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.81 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' HA ' HG13 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 1.43 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 1.49 110.14 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.844 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 1.12 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 3.34 116.536 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 1.07 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.888 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 1.05 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.24 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 1.11 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.554 ' HA ' HG22 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 1.0 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.47 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 1.0 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.581 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 1.08 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 1.57 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.97 113.591 -175.17 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.704 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 34.7 p . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 1.45 107.568 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.704 ' HB2' ' H ' ' A' ' 3' ' ' THR . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 1.07 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG12 HG13 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 1.05 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 1.07 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.19 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 1.08 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 1.06 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 1.12 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.596 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 1.03 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.492 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 HD11 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 1.12 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 1.12 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.28 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 1.06 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.41 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.492 HG13 ' OD1' ' A' ' 16' ' ' ASN . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 1.59 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 1.05 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.46 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.79 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.8 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 2.06 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.86 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.596 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.82 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.426 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 1.06 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 1.39 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.487 ' H ' HG12 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 1.02 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 1.44 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 1.14 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.705 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 1.14 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 1.19 108.705 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.807 ' HA ' HG23 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.03 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.697 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.94 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 1.49 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 1.03 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 1.03 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 2.56 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.4 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.81 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 2.09 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 1.22 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.81 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 1.43 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 1.49 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.848 HD11 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 1.12 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 3.34 116.42 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 1.07 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 1.05 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.24 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.848 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 1.11 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.475 ' HA ' HG23 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.47 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 1.08 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 1.57 109.281 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.97 114.325 -176.769 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.733 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p . . . . . 0 N--CA 1.412 -2.362 0 N-CA-C 107.697 -1.223 . . . . 1.45 107.697 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.733 ' HB2' ' H ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 1.07 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 1.05 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 1.07 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.19 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 1.08 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 1.06 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.76 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 1.12 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.613 HG23 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 1.03 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 1.12 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 1.12 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.28 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 1.06 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.41 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 1.59 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 HG11 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 1.05 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.46 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.8 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 2.06 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.993 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.86 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.618 ' CE2' HG22 ' A' ' 69' ' ' VAL . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.82 112.611 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.993 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 HG23 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 1.06 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 1.39 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' SER . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 39' ' ' ASP . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 1.02 113.451 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 1.44 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 38' ' ' VAL . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 1.14 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.519 ' O ' HG22 ' A' ' 47' ' ' VAL . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 1.14 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 44' ' ' VAL . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 1.19 108.69 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.76 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 1.03 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.744 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.94 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 1.49 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 1.03 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 1.03 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.62 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 2.56 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.4 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.81 110.782 -169.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 2.09 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 1.22 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.81 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.599 ' HA ' HG13 ' A' ' 63' ' ' VAL . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 1.43 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 1.49 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.944 HD11 HG22 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 1.12 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 3.34 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 1.07 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 1.05 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.442 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.24 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.753 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 1.11 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 1.0 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.47 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.519 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 1.08 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 1.57 109.708 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.97 112.08 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.687 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 40.0 p . . . . . 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 1.45 108.049 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.687 ' HB2' ' H ' ' A' ' 3' ' ' THR . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 1.07 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 1.05 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 1.07 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.456 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.19 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 1.08 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 1.06 110.34 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.818 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 1.12 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 1.03 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 1.12 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' HG22 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 1.12 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.28 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 1.06 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.41 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 1.59 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 1.05 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.46 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.874 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.8 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 2.06 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.765 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.86 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.82 112.192 178.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 1.06 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 1.39 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 41' ' ' LEU . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.418 ' H ' HG11 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 1.02 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 39' ' ' ASP . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 1.44 109.007 -174.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 1.14 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 1.14 110.993 -173.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 1.19 109.45 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.818 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 1.03 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.94 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 1.49 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 1.03 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 1.03 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 2.56 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.4 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.81 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 2.09 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.66 HG21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 1.22 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.81 109.712 175.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 1.43 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 1.49 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 1.12 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 3.34 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 1.07 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 1.05 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.24 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 1.11 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 1.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.47 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.74 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 1.08 112.293 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 1.57 110.485 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 88.6 m-70 . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.97 112.901 -176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.72 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 64.9 p . . . . . 0 CA--C 1.496 -1.131 0 N-CA-C 105.657 -1.979 . . . . 1.45 105.657 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.72 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 1.07 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 1.05 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 1.07 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.19 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 1.08 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 1.06 112.376 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.794 HG23 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 1.12 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 1.03 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 1.12 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 1.12 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.28 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 1.06 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.41 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 1.59 111.163 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 1.05 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.46 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.8 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 2.06 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.711 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.86 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.651 ' CE2' HG23 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.82 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 1.06 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.502 HG22 ' HE3' ' A' ' 43' ' ' MET . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 1.39 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 1.02 116.404 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 1.44 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 1.14 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.59 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 1.14 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 41' ' ' LEU . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 1.19 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 1.03 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.94 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 1.49 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 1.03 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 1.03 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 2.56 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.4 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.81 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.636 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 2.09 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 1.22 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.81 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 1.43 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 1.49 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.818 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 1.12 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 3.34 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 1.07 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 1.05 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.24 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.818 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 1.11 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.494 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 1.0 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.47 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.638 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 1.08 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 3' ' ' THR . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 1.57 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.97 113.388 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.99 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 -178.92 6.67 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.654 -0.703 . . . . 1.21 109.748 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.727 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 33.7 p -128.9 -168.0 1.86 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 1.45 108.04 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.433 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.727 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 1.07 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 4' ' ' GLN . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 1.05 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 1.07 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.19 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 1.08 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 1.06 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.776 HG22 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 1.12 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.636 ' CG1' ' HB ' ' A' ' 21' ' ' ILE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 1.03 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.572 HD12 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 1.12 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 1.12 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.28 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.721 HG21 HD11 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 1.06 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.41 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 1.59 112.131 -175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG21 HD11 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 1.05 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.46 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.8 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 2.06 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.577 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.86 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.662 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.82 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 1.06 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HB3' HD13 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG23 ' CB ' ' A' ' 19' ' ' ALA . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 1.39 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.424 ' O ' H28A ' A' ' 101' ' ' SXH . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 1.02 112.505 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 1.44 108.482 -177.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 1.14 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.529 ' O ' HG21 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 1.14 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 1.19 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.572 ' HB2' HD12 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.776 ' HA ' HG22 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 1.03 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.555 HG22 HG23 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.94 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 1.49 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.496 ' HB3' HD11 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 1.03 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.538 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 1.03 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 2.56 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.4 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.562 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.81 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 2.09 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 1.22 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.81 109.034 177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.664 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG11 ' H4A' ' A' ' 101' ' ' SXH . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 1.43 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 1.49 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.817 HD11 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 1.12 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 3.34 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 1.07 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.76 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 1.05 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.24 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 1.11 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.621 ' HA ' HG23 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 1.0 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 74' ' ' LYS . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.47 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 1.0 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.562 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 1.08 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.58 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 1.57 109.126 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -100.57 6.34 44.17 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.97 112.681 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.58 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.7 mm-40 -52.06 152.21 3.3 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.064 1.135 . . . . 1.07 114.064 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.512 0 N-CA-C 107.722 -1.214 . . . . 2.75 107.722 174.255 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.713 ' H4A' HG11 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 120.867 0.365 . . . . 1.99 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.03 3.34 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 106.758 -1.571 . . . . 1.21 106.758 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.705 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.3 p -131.32 -172.96 2.98 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 106.906 -1.516 . . . . 1.45 106.906 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.705 ' HB2' ' H ' ' A' ' 3' ' ' THR . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.6 HG22 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 1.07 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 HG11 HG13 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 1.05 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 1.07 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.19 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.576 ' O ' HG21 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 1.08 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.605 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 1.06 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.808 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 1.12 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.576 HG21 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 1.03 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.565 HD12 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 1.12 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 1.12 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.28 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.657 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 1.06 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.41 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 1.59 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.418 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG23 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 1.05 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.552 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.46 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.839 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.8 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 2.06 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.86 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.767 ' CE2' HG23 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.487 HG23 ' S1 ' ' A' ' 101' ' ' SXH . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.82 111.483 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' HB3' ' HB3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 1.06 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB3' HD12 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.536 HG23 ' HE3' ' A' ' 43' ' ' MET . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 1.39 107.273 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.458 ' O ' H28A ' A' ' 101' ' ' SXH . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 1.02 111.264 -174.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 1.44 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 1.14 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.536 ' HE3' HG23 ' A' ' 38' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 1.14 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 1.19 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.565 ' HB2' HD12 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.808 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 1.03 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 58' ' ' ILE . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.94 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 1.49 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 1.03 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 1.03 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' OE2' ' HG2' ' A' ' 57' ' ' LYS . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 2.56 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.4 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG11 ' N ' ' A' ' 57' ' ' LYS . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.81 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 2.09 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.55 ' O ' HG12 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 1.22 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.81 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 1.43 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 1.49 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.844 HD11 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 1.12 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 3.34 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 1.07 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.839 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 1.05 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.483 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.24 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.487 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 1.11 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.6 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 1.0 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.47 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.472 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 1.0 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.517 HG12 HD12 ' A' ' 58' ' ' ILE . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 1.08 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 1.57 109.733 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.2 6.29 49.44 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.97 112.289 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -48.83 136.57 13.7 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 114.464 1.283 . . . . 1.07 114.464 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.18 0 CA-C-N 114.163 -1.381 . . . . 2.75 107.717 175.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.603 ' H4A' HG12 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 109.294 -0.632 . . . . 1.99 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.6 173.18 10.35 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.158 -0.474 . . . . 1.21 110.066 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.704 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 72.7 p -119.34 -170.4 1.92 Allowed 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 1.45 105.761 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.7 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.704 ' HB2' ' H ' ' A' ' 3' ' ' THR . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.691 HG23 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 1.07 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 HG11 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 1.05 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 1.07 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.19 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 1.08 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 1.06 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.779 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 1.12 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.618 HG11 ' HB ' ' A' ' 21' ' ' ILE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 1.03 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.574 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 1.12 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 1.12 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.28 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.618 ' HB ' HG11 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 1.06 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.41 113.396 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 1.59 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG11 HG13 ' A' ' 8' ' ' VAL . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 1.05 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.46 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.8 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.597 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 2.06 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.826 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.86 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.82 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.826 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.597 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.55 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 1.06 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.43 HG21 ' HE1' ' A' ' 43' ' ' MET . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 1.39 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.452 ' O ' H28A ' A' ' 101' ' ' SXH . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 1.02 114.199 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 1.44 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 1.14 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.572 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 1.14 111.165 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG21 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 1.19 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.574 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.779 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 1.03 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.94 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 1.49 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' HB1' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 1.03 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 1.03 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.601 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 2.56 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.4 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.81 110.317 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 2.09 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.73 HG23 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 1.22 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.81 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.767 HG21 ' H2 ' ' A' ' 101' ' ' SXH . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 1.43 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.66 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 1.49 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 1.12 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.48 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 3.34 115.811 -176.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 1.07 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.567 HG21 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 1.05 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.467 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.24 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.753 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 1.11 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.691 ' HA ' HG23 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 1.0 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.47 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 1.0 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD12 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 1.08 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.621 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 1.57 110.193 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -98.52 5.5 47.88 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.97 113.42 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.621 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.5 mm-40 -44.23 120.5 2.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.87 1.063 . . . . 1.07 113.87 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.35 0 CA-C-N 115.246 -0.888 . . . . 2.75 108.657 -178.686 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.767 ' H2 ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 N-CA-C 109.044 -0.724 . . . . 1.99 109.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -138.82 162.08 35.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 106.225 -1.768 . . . . 1.21 106.225 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.68 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 49.8 p -114.25 -159.61 0.7 Allowed 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.033 -1.099 . . . . 1.45 108.033 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.8 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.68 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.576 HG22 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 1.07 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG11 HG11 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 1.05 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 1.07 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.19 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' O ' HG21 ' A' ' 15' ' ' VAL . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 1.08 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 1.06 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG22 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 1.12 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG23 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 1.03 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.586 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 1.12 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.469 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 1.12 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.28 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.785 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 1.06 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.41 112.296 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 1.59 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 1.05 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.46 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.877 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.8 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 2.06 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.771 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.86 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.657 ' CE1' HG23 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.765 ' HG1' ' H43' ' A' ' 101' ' ' SXH . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.82 109.881 -178.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.771 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.785 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 1.06 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HB3' HD12 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 1.39 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' HD11 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.427 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 1.02 113.648 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD11 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 1.44 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.575 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 1.14 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.699 ' HG2' H43A ' A' ' 101' ' ' SXH . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 1.14 111.317 -171.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 1.19 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.586 ' HB2' HD12 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG22 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 1.03 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.94 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.403 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 1.49 112.11 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 1.03 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 1.03 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.682 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 2.56 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.4 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.81 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.676 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 2.09 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.682 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 1.22 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.81 109.996 178.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.403 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 1.43 112.944 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 1.49 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.828 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 1.12 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 3.34 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.578 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 1.07 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.877 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 1.05 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.489 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.24 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.414 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.828 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 1.11 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.576 ' HA ' HG22 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 1.0 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.47 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 1.0 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.524 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 1.08 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 2' ' ' ALA . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 1.57 108.798 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.47 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 -97.51 6.31 48.32 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.97 113.815 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 70.8 mm-40 -48.55 159.33 0.23 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.003 1.112 . . . . 1.07 114.003 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.203 -0.908 . . . . 2.75 109.933 178.752 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.765 ' H43' ' HG1' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.131 -0.692 . . . . 1.99 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' HB3' ' HB2' ' A' ' 6' ' ' GLU . . . -155.76 -167.97 2.65 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.146 -0.687 . . . . 1.21 109.146 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.703 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.8 p -138.01 -170.05 2.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 1.45 106.051 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 1.07 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 1.05 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 1.07 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.19 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.617 ' O ' HG22 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 1.08 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 1.06 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.816 HG23 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 1.12 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.707 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 1.03 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.566 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 45' ' ' GLU . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 1.12 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.533 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 1.12 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.28 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.679 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 1.06 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.41 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 1.59 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 1.05 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.46 105.785 174.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.732 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.8 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 2.06 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.86 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.707 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.82 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.679 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 1.06 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 1.39 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 1.02 111.473 -170.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.579 HD23 H31A ' A' ' 101' ' ' SXH . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 1.44 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 1.14 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.821 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 1.14 110.301 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 1.19 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.816 ' HA ' HG23 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 1.03 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.94 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.557 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 1.49 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.53 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 1.03 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 1.03 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.664 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.43 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 2.56 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.73 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.4 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.81 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 2.09 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.664 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 1.22 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.81 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.501 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.569 HG11 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 1.43 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.523 ' HB3' ' C37' ' A' ' 101' ' ' SXH . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 1.49 111.373 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 1.12 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 3.34 115.259 176.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 1.07 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.732 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 1.05 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.575 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.24 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.495 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.791 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 1.11 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.661 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 1.0 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.575 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.47 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 1.0 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.615 HG12 HD12 ' A' ' 58' ' ' ILE . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 1.08 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 1.57 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -102.56 6.23 39.74 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.97 113.828 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 69.5 mm-40 -46.74 144.34 2.39 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.215 1.561 . . . . 1.07 115.215 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 106.999 -1.482 . . . . 2.75 106.999 175.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.821 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.394 0.616 . . . . 1.99 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.456 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -83.57 173.43 11.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.176 -0.92 . . . . 1.21 109.184 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.679 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 30.9 p -118.35 -169.52 1.72 Allowed 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 1.45 107.817 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.63 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 1.07 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.49 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 1.05 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 1.07 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.19 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 1.08 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.49 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 1.06 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.773 HG22 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 1.12 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.589 HG23 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 1.03 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 1.12 111.704 -172.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 1.12 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.28 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.538 HG22 HD11 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 1.06 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.41 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.502 ' N ' HD22 ' A' ' 16' ' ' ASN . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 1.59 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 1.05 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.615 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.46 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.842 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.8 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 2.06 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.425 ' CA ' HG23 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.86 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.541 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.82 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 1.06 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.568 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 1.39 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.652 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 1.02 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 1.44 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 1.14 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.875 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 1.14 110.253 -173.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 1.19 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 1.03 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.94 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 1.49 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD12 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 1.03 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.513 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 1.03 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.513 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 2.56 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.4 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.81 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 2.09 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.663 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 1.22 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.81 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.597 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG11 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 1.43 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 1.49 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD12 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 1.12 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 3.34 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 1.07 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.842 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 1.05 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.24 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.549 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 1.11 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.625 ' HA ' HG23 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 1.0 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.47 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 1.0 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.663 HG12 HD12 ' A' ' 58' ' ' ILE . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 1.08 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.575 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 1.57 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -98.89 6.22 46.9 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.97 112.704 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.575 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.5 mm-40 -51.43 153.56 2.13 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.818 1.414 . . . . 1.07 114.818 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.526 0 N-CA-C 107.611 -1.255 . . . . 2.75 107.611 177.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.875 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 N-CA-C 108.564 -0.902 . . . . 1.99 108.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.62 -168.71 2.25 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.91 -0.774 . . . . 1.21 108.91 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.672 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.0 p -126.43 -170.54 2.22 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 1.45 107.552 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.672 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 1.07 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 1.05 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 1.07 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.19 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.649 HD22 ' H6 ' ' A' ' 101' ' ' SXH . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 1.08 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 1.06 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.726 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 1.12 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.598 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 1.03 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 1.12 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 1.12 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.28 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 1.06 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.41 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 1.59 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 1.05 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.46 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.707 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.8 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 2.06 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.626 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.86 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.641 ' CE2' HG21 ' A' ' 69' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.82 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 1.06 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 1.39 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 1.02 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 1.44 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG22 ' A' ' 46' ' ' VAL . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 1.14 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.527 ' HG2' H43A ' A' ' 101' ' ' SXH . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 1.14 110.616 -172.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 1.19 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' HB2' HD12 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.726 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 1.03 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.94 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.404 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 1.49 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 1.03 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 1.03 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 2.56 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.4 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.81 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.638 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 2.09 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD13 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 1.22 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.81 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.615 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.615 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 1.43 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 1.49 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.777 HD11 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 1.12 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 3.34 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.626 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 1.07 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.707 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 1.05 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.543 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.24 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.429 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 1.11 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.426 HG22 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 1.0 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.47 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 1.0 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.589 ' CG1' HD13 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 1.08 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 1.57 110.485 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -99.53 -14.81 18.89 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.97 113.701 -175.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.446 ' CD ' ' HA ' ' A' ' 77' ' ' LEU . 3.8 pt20 -70.3 133.03 46.58 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.731 0.641 . . . . 1.07 112.731 -177.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.446 0 C-N-CA 125.11 1.364 . . . . 2.75 111.609 176.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.649 ' H6 ' HD22 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.824 -0.435 . . . . 1.99 109.824 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 160.72 29.0 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.063 0.227 . . . . 1.21 110.54 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.721 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 14.7 p -117.51 -162.63 0.88 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.521 -0.918 . . . . 1.45 108.521 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.721 ' HB2' ' H ' ' A' ' 3' ' ' THR . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 ' HB ' HG21 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 1.07 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 1.05 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 1.07 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.19 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 1.08 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 1.06 112.585 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 1.12 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 1.03 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.558 HD22 ' N ' ' A' ' 23' ' ' VAL . 7.3 m-80 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 1.12 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 1.12 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.28 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.698 HG22 HD12 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 1.06 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.41 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.558 ' N ' HD22 ' A' ' 16' ' ' ASN . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 1.59 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG23 HD12 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 1.05 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.46 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.8 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 2.06 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.893 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.86 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' CE2' HG21 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.82 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.893 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 HG22 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 1.06 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG23 ' HE2' ' A' ' 43' ' ' MET . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 1.39 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' HG12 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 1.02 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 1.44 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.567 ' O ' HG21 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 1.14 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.58 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 1.14 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.488 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 1.19 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.698 ' HA ' HG23 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 1.03 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.794 HG21 HG22 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.94 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 1.49 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 1.03 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.546 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 1.03 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.633 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 2.56 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.4 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.81 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.633 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 2.09 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.727 HG21 HD12 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 1.22 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.81 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.632 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.794 HG22 HG21 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 1.43 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.767 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 1.49 112.863 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG21 ' A' ' 58' ' ' ILE . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 1.12 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 3.34 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 1.07 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 1.05 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.24 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.522 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 1.11 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.588 HG21 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.422 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.47 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.508 ' CE2' HG22 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.536 ' HA ' HG12 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 1.08 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 1.57 109.376 -177.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -100.32 5.67 44.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.97 113.081 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 71.5 mm-40 -49.44 118.5 2.78 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.796 0.665 . . . . 1.07 112.796 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.434 0 O-C-N 124.395 1.059 . . . . 2.75 112.011 175.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.767 ' H37' ' HB3' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.158 0.504 . . . . 1.99 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 169.7 17.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.669 -0.696 . . . . 1.21 109.964 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.66 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 32.1 p -123.02 -162.25 1.01 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.941 -0.763 . . . . 1.45 108.941 -174.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.462 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.66 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 1.07 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 1.05 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 1.07 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.19 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 1.08 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB1' HG21 ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 1.06 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.809 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 1.12 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 1.03 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.518 HD11 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 1.12 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.478 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 1.12 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.28 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.659 HG23 HD12 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 1.06 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.41 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 1.59 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD12 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 1.05 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.46 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.8 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.587 ' O ' HG22 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 2.06 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.647 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.86 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.82 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.483 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD12 HG23 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 1.06 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 1.39 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 41' ' ' LEU . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.468 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 1.02 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 1.44 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 1.14 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.686 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 1.14 111.098 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 1.19 110.977 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.518 ' HB2' HD11 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.809 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 1.03 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.94 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.48 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 1.49 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 1.03 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 1.03 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.683 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.46 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 2.56 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.4 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.81 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.683 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 2.09 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.579 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 1.22 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.81 109.743 177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.546 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.654 HG11 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 1.43 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 1.49 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.849 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 1.12 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 3.34 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 1.07 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG23 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 1.05 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.24 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.463 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.849 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 1.11 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 1.0 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.47 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 1.0 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.549 ' HB ' HD11 ' A' ' 7' ' ' ILE . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 1.08 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.624 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 1.57 108.967 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.411 ' CB ' HG11 ' A' ' 56' ' ' VAL . 26.0 m-70 -102.47 6.23 39.96 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.97 112.902 -178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.624 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 55.8 mm-40 -51.97 157.58 1.24 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.677 1.362 . . . . 1.07 114.677 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.597 0 CA-C-N 114.051 -1.431 . . . . 2.75 107.285 176.263 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.742 ' H4A' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.914 -0.773 . . . . 1.99 108.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.05 -162.4 1.15 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.59 -0.892 . . . . 1.21 108.59 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.425 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 29.4 p -130.21 -172.49 2.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.876 -1.157 . . . . 1.45 107.876 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.425 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.507 HG22 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 1.07 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 1.05 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 1.07 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.19 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 1.08 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 1.06 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.743 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 1.12 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 1.03 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 1.12 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 1.12 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.28 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD11 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 1.06 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.41 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.604 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 1.59 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 1.05 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.46 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.787 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.8 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.678 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 2.06 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.61 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.86 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.838 ' CE2' HG23 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.677 HG23 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.82 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.61 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.476 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD11 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 1.06 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 1.39 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.677 ' HB3' HG23 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 1.02 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 1.44 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.478 ' HA ' HG22 ' A' ' 18' ' ' ILE . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 1.14 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.646 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 1.14 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' O33' ' A' ' 101' ' ' SXH . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 1.19 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.743 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 1.03 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.674 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.94 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.47 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 1.49 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.564 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 1.03 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.552 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 1.03 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.674 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.552 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 2.56 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.506 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.4 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG22 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.81 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 2.09 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.664 HD12 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 1.22 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.81 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.503 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.622 HG11 ' H4A' ' A' ' 101' ' ' SXH . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 1.43 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 1.49 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.677 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 1.12 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.886 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 3.34 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 67' ' ' LYS . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 1.07 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.838 HG23 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 1.05 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.649 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.24 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.677 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 1.11 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.507 ' HA ' HG22 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 1.0 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.47 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.465 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 1.0 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.664 HG12 HD12 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 1.08 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' CA ' ' HG3' ' A' ' 80' ' ' GLN . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 1.57 112.237 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -102.07 5.38 40.49 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.97 112.074 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.479 ' HG3' ' CA ' ' A' ' 77' ' ' LEU . 36.9 mt-30 -69.59 159.64 33.02 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.583 0.957 . . . . 1.07 113.583 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.039 0 N-CA-C 107.008 -1.478 . . . . 2.75 107.008 175.382 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.886 ' S1 ' ' HG2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.798 0.333 . . . . 1.99 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.3 -176.6 3.45 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 124.225 1.01 . . . . 1.21 110.221 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.69 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 22.3 p -138.55 -170.41 2.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 1.45 107.629 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' O ' HG21 ' A' ' 8' ' ' VAL . 0.8 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.69 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.677 HG23 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 1.07 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG13 HG13 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 1.05 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 1.07 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.19 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' HG21 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 1.08 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 1.06 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.734 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 1.12 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.646 HG23 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 1.03 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.411 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 1.12 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 1.12 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.28 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 HD12 ' A' ' 36' ' ' LEU . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 1.06 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.41 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 1.59 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG13 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 1.05 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.46 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.762 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.8 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' HG21 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 2.06 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.529 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.86 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.646 ' CE1' HG23 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.82 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD12 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 1.06 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.499 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 HG23 ' HE3' ' A' ' 43' ' ' MET . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 1.39 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 1.02 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 1.44 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 1.14 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.54 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 1.14 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 1.19 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.734 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 1.03 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.94 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.405 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 1.49 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 1.03 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 1.03 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.653 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 2.56 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.628 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.4 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.552 HG11 HG12 ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.81 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 2.09 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 1.22 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.81 108.518 174.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.599 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.679 HG12 ' H4A' ' A' ' 101' ' ' SXH . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 1.43 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 1.49 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 1.12 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 3.34 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.541 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 1.07 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.762 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 1.05 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.48 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.24 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.541 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 1.11 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.677 ' HA ' HG23 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.47 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 1.0 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.593 HG12 HD12 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 1.08 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 1.57 108.483 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -81.36 -60.1 2.39 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.97 111.77 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 6.5 mm-40 49.86 -170.64 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 115.19 1.552 . . . . 1.07 115.19 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 107.678 -1.23 . . . . 2.75 107.678 174.844 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.679 ' H4A' HG12 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 110.027 -0.36 . . . . 1.99 110.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.96 161.32 34.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.229 -1.026 . . . . 1.21 108.229 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.715 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.7 p -117.43 -166.51 1.19 Allowed 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 1.45 108.758 -176.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.715 ' HB2' ' H ' ' A' ' 3' ' ' THR . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.662 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 1.07 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 1.05 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 1.07 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.19 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG21 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 1.08 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 1.06 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.75 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 1.12 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG23 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 1.03 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.515 HG23 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 1.12 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 1.12 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.28 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.594 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 1.06 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.41 111.921 -175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 1.59 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG11 HG11 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 1.05 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.46 106.107 173.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.74 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.8 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' O ' HG22 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 2.06 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.648 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.86 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.461 HG23 HG13 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.82 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.648 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.594 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 1.06 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 1.39 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.439 ' H ' HG12 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 1.02 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 1.44 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.573 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 1.14 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.723 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 1.14 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 1.19 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.75 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 1.03 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.646 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.94 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.421 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 1.49 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 1.03 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 1.03 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.668 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 2.56 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.662 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.4 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.81 112.512 -171.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.668 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 2.09 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 1.22 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.81 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.752 HG21 ' H2 ' ' A' ' 101' ' ' SXH . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 1.43 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.546 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 1.49 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.842 HD11 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 1.12 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 3.34 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 1.07 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.74 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 1.05 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.24 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 1.11 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.599 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 1.0 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.47 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 1.0 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.53 HG12 HD12 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 1.08 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 1.57 109.373 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -98.19 5.89 48.02 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.97 113.757 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 73.7 mm-40 -53.12 119.0 4.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.897 0.479 . . . . 1.07 111.991 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 0 C-N-CA 125.096 1.358 . . . . 2.75 110.494 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.752 ' H2 ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.521 0.677 . . . . 1.99 111.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 170.12 16.94 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.328 -0.851 . . . . 1.21 108.991 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.712 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.1 p -116.7 -168.45 1.46 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 1.45 107.976 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.712 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 1.07 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.45 HG12 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 1.05 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 1.07 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.19 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.582 ' O ' HG21 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 1.08 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 1.06 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.801 HG22 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 1.12 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.611 HG23 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 1.03 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.534 HG22 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 1.12 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.509 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 1.12 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.28 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 1.06 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.41 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.601 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 1.59 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 HG12 HG12 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 1.05 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.46 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.8 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 2.06 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.705 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.86 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.613 ' CE2' HG22 ' A' ' 69' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.82 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.537 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.52 HD11 HG22 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 1.06 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 19' ' ' ALA . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 1.39 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' C ' ' H ' ' A' ' 41' ' ' LEU . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.446 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 1.02 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.581 HD23 ' H31' ' A' ' 101' ' ' SXH . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 1.44 107.128 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 1.14 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.783 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 1.14 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 1.19 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.801 ' HA ' HG22 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 1.03 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.688 HG21 HG23 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.94 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 1.49 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 1.03 108.43 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 1.03 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.639 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 2.56 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.4 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.81 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.639 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 2.09 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 1.22 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.81 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.526 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.636 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.507 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG23 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 1.43 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.636 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 1.49 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 1.12 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 3.34 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.705 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 1.07 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.613 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 1.05 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.24 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 1.11 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.554 ' HA ' HG23 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 1.0 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.47 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 1.0 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.625 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 1.08 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.681 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 1.57 110.653 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.06 6.27 40.95 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.97 112.973 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.681 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.0 mm-40 -48.1 155.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.218 1.562 . . . . 1.07 115.218 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.283 0 CA-C-N 113.815 -1.538 . . . . 2.75 106.959 177.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.783 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.022 0 N-CA-C 108.905 -0.776 . . . . 1.99 108.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.79 144.96 52.51 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 115.258 -0.883 . . . . 1.21 109.913 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.685 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.8 p -107.58 -167.3 1.24 Allowed 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 1.45 108.721 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.685 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG21 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 1.07 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.457 HG11 HG11 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 1.05 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 1.07 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.19 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD21 ' H6B' ' A' ' 101' ' ' SXH . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 1.08 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 1.06 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 1.12 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 1.03 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.602 HD22 ' N ' ' A' ' 23' ' ' VAL . 8.7 m-80 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG21 ' HA ' ' A' ' 42' ' ' SER . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 1.12 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 1.12 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.28 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.69 HG22 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 1.06 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.41 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.602 ' N ' HD22 ' A' ' 16' ' ' ASN . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 1.59 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG11 HG11 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.05 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.46 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.798 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.8 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 2.06 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.692 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.86 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.68 ' CE1' HG23 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.82 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.69 HD13 HG22 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 1.06 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.556 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 1.39 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.478 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 1.02 115.358 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 39' ' ' ASP . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 1.44 108.308 -178.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.54 ' O ' HG21 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 1.14 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.768 ' HG2' H43A ' A' ' 101' ' ' SXH . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 1.14 111.273 -172.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 1.19 109.176 177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 1.03 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG11 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.94 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 1.49 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 1.03 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 1.03 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.419 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 2.56 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.4 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.545 HG12 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.81 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 2.09 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.609 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 1.22 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.81 110.097 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' OD2' ' H32' ' A' ' 101' ' ' SXH . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.445 HG22 ' H5A' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 1.43 112.432 -177.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 1.49 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 1.12 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 3.34 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 1.07 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.798 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 1.05 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.24 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.808 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 1.11 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.603 HG21 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 1.0 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.47 106.651 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 1.0 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.545 ' HA ' HG12 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 1.08 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 1.57 108.409 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -101.26 6.49 42.92 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.97 112.797 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 25.0 mm-40 -43.04 132.11 4.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.226 0.61 . . . . 1.07 111.547 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 107.754 -1.202 . . . . 2.75 107.754 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.768 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.229 -0.656 . . . . 1.99 109.229 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.44 -179.07 7.82 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.443 -0.577 . . . . 1.21 109.443 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.681 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 47.4 p -129.95 -170.79 2.38 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 1.45 107.858 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.681 ' HB2' ' H ' ' A' ' 3' ' ' THR . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 1.07 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 1.05 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 1.07 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.19 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 1.08 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.443 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 1.06 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.806 HG23 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 1.12 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 1.03 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG23 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 1.12 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 1.12 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.28 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 1.06 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.41 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 1.59 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG12 HG11 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 1.05 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.46 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.8 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.638 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 2.06 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.798 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.86 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.82 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.798 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.638 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 1.06 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 1.39 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.429 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 1.02 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 1.44 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 1.14 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.569 ' O ' HG21 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 1.14 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 1.19 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.806 ' HA ' HG23 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 1.03 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.569 HG21 ' O ' ' A' ' 43' ' ' MET . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.94 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 1.49 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB2' HD11 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 1.03 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 1.03 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.699 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 2.56 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.4 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 80' ' ' GLN . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.81 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.699 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 2.09 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.582 HG23 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 1.22 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.81 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.657 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.657 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 1.43 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 1.49 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.845 HD12 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 1.12 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 3.34 115.273 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 1.07 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 1.05 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.24 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.845 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 1.11 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG22 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 1.0 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.47 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 1.0 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 72' ' ' ALA . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 1.08 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 1.57 110.485 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -97.08 6.52 48.41 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.97 112.348 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.492 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 57.1 mm-40 -52.54 158.42 1.27 Allowed 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 114.227 1.195 . . . . 1.07 114.227 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.186 0 N-CA-C 106.78 -1.563 . . . . 2.75 106.78 173.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.688 ' H2A' ' O ' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 109.407 -0.59 . . . . 1.99 109.407 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.27 165.59 11.38 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.269 -0.423 . . . . 1.21 110.866 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.763 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p -126.2 -165.78 1.48 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 1.45 108.698 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.763 ' HB3' ' H ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.59 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 1.07 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 1.05 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 1.07 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.19 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' O ' HG21 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 1.08 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 1.06 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.79 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 1.12 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.573 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 1.03 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.51 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.58 HD12 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 1.12 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.535 ' HB1' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 1.12 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.28 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.662 HG22 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 1.06 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.41 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.51 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 1.59 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 1.05 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.46 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.888 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.8 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.597 ' HB2' ' O ' ' A' ' 27' ' ' LYS . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 2.06 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.86 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.81 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.82 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.544 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.597 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 1.06 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG22 ' HE2' ' A' ' 43' ' ' MET . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 1.39 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 1.02 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 39' ' ' ASP . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 1.44 107.036 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.584 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 1.14 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.873 ' HG2' H43A ' A' ' 101' ' ' SXH . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 1.14 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.637 HG22 ' H31' ' A' ' 101' ' ' SXH . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 1.19 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.58 ' HB2' HD12 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.79 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 1.03 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.593 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.94 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.579 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 1.49 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 53' ' ' ARG . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 1.03 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 1.03 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.64 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 2.56 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.4 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.81 111.729 -175.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.64 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 2.09 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 1.22 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.81 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' HA ' HG13 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.545 HG13 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 1.43 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.733 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 1.49 110.14 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.844 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 1.12 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 3.34 116.536 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 1.07 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.888 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 1.05 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.24 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.565 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.844 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 1.11 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.554 ' HA ' HG22 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 1.0 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.47 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 1.0 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.581 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 1.08 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 1.57 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -96.77 6.11 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.97 113.591 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' NE2' HG21 ' A' ' 76' ' ' ILE . 79.4 mm-40 -47.99 118.46 2.37 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.466 0.707 . . . . 1.07 112.744 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.164 1.386 . . . . 2.75 112.821 176.626 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.873 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.762 -0.458 . . . . 1.99 109.762 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.62 161.01 24.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.992 -0.549 . . . . 1.21 111.683 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.704 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 34.7 p -120.59 -166.51 1.33 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 1.45 107.568 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.704 ' HB2' ' H ' ' A' ' 3' ' ' THR . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 1.07 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG12 HG13 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 1.05 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 1.07 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.19 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.558 ' O ' HG22 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 1.08 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.472 ' HB3' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 1.06 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.807 HG23 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 1.12 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.596 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 1.03 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.492 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 HD11 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 1.12 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 1.12 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.28 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 1.06 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.41 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.492 HG13 ' OD1' ' A' ' 16' ' ' ASN . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 1.59 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 HG13 HG12 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 1.05 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.46 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.79 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.8 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 2.06 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.86 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.596 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.82 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 1.06 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 HG12 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 1.39 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.487 ' H ' HG12 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 1.02 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 1.44 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 1.14 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.96 ' HG2' H43A ' A' ' 101' ' ' SXH . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 1.14 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.59 HG21 H31B ' A' ' 101' ' ' SXH . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 1.19 108.705 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.807 ' HA ' HG23 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 1.03 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.697 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.94 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 1.49 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB2' HD12 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 1.03 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 1.03 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.697 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 2.56 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.4 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.81 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 2.09 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 1.22 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.81 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.581 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.581 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 1.43 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.77 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 1.49 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.848 HD11 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 1.12 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.551 ' HA ' ' O1 ' ' A' ' 101' ' ' SXH . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 3.34 116.42 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 1.07 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.79 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 1.05 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.24 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.848 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 1.11 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.475 ' HA ' HG23 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 1.0 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.47 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD12 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 1.08 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 1.57 109.281 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.58 5.66 50.29 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.97 114.325 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 75.5 mm-40 -56.39 124.11 16.97 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.995 0.368 . . . . 1.07 111.995 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.142 1.377 . . . . 2.75 112.248 174.136 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.96 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 108.549 -0.908 . . . . 1.99 108.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.12 43.56 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-O 121.506 0.67 . . . . 1.21 110.464 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.733 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p -115.81 -161.89 0.81 Allowed 'General case' 0 C--N 1.28 -2.42 0 N-CA-C 107.697 -1.223 . . . . 1.45 107.697 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.733 ' HB2' ' H ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 1.07 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.509 HG11 HG13 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 1.05 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 1.07 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.19 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 1.08 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 1.06 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.76 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 1.12 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.613 HG23 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 1.03 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.53 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.564 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 1.12 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 1.12 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.28 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.526 HG23 HD11 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 1.06 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.53 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.41 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 1.59 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG13 HG11 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 1.05 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.46 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.8 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 2.06 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.993 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.86 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.707 ' CD2' ' H3A' ' A' ' 101' ' ' SXH . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.82 112.611 175.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.993 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.526 HD11 HG23 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 1.06 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.607 HG21 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 1.39 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 40' ' ' SER . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.447 ' HB3' H28A ' A' ' 101' ' ' SXH . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 1.02 113.451 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 1.44 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.607 ' HB2' HG21 ' A' ' 38' ' ' VAL . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 1.14 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.586 ' SD ' ' H5A' ' A' ' 101' ' ' SXH . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 1.14 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' H ' HG23 ' A' ' 44' ' ' VAL . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 1.19 108.69 177.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.478 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.76 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 1.03 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.744 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.94 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.442 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 1.49 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 1.03 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 1.03 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.62 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 2.56 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.4 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.81 110.782 -169.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.62 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 2.09 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 1.22 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.81 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.649 ' O ' ' H37' ' A' ' 101' ' ' SXH . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.448 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.944 HG22 HD11 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 1.43 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 1.49 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.944 HD11 HG22 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 1.12 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 3.34 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 1.07 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 1.05 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.442 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.24 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' HD23 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.753 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 1.11 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.505 ' HA ' HG22 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 1.0 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.442 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.47 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.519 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.579 HG12 HD12 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 1.08 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 1.57 109.708 -176.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -92.81 6.23 48.38 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.97 112.08 -179.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 7.8 mm-40 -36.6 133.05 0.58 Allowed 'General case' 0 C--O 1.248 1.002 0 N-CA-C 115.613 1.708 . . . . 1.07 115.613 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.506 0 CA-C-N 113.702 -1.59 . . . . 2.75 108.984 175.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.726 ' H4 ' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.542 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.198 0.523 . . . . 1.99 111.456 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -86.87 -177.02 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.542 0.737 . . . . 1.21 109.899 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.687 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 40.0 p -124.92 -170.75 2.22 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 1.45 108.049 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.687 ' HB2' ' H ' ' A' ' 3' ' ' THR . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 1.07 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 1.05 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 1.07 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.456 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.19 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.566 ' O ' HG21 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 1.08 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 1.06 110.34 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.818 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 1.12 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.705 HG23 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 1.03 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 1.12 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' HG22 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 1.12 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.28 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.624 HG23 HD11 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 1.06 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.41 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 1.59 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 1.05 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.46 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.874 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.8 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.61 ' O ' HG22 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 2.06 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.765 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.86 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.705 ' CE1' HG23 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' HG12 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.82 112.192 178.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.765 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.624 HD11 HG23 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 1.06 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG22 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 1.39 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 41' ' ' LEU . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.418 ' H ' HG11 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 1.02 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 39' ' ' ASP . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 1.44 109.007 -174.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 1.14 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.464 ' HG2' H43A ' A' ' 101' ' ' SXH . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 1.14 110.993 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 1.19 109.45 176.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HB2' HD12 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.818 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 1.03 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.94 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 1.49 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB2' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 1.03 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 1.03 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.616 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 2.56 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.4 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.81 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.535 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 2.09 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.66 HG21 HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 1.22 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 58' ' ' ILE . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.81 109.712 175.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 1.43 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 1.49 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 1.12 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 3.34 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.693 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 1.07 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.874 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 1.05 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.24 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 1.11 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 1.0 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.47 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.74 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 80' ' ' GLN . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 1.08 112.293 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 1.57 110.485 -175.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 88.6 m-70 -101.19 7.1 43.25 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.97 112.901 -176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 49.7 mm-40 -44.89 147.76 0.62 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.713 1.746 . . . . 1.07 115.713 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.673 0 CA-C-N 114.01 -1.45 . . . . 2.75 107.159 175.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.464 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.542 0 N-CA-C 109.308 -0.627 . . . . 1.99 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' HB3' ' NE2' ' A' ' 80' ' ' GLN . . . -90.94 168.87 11.36 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 1.21 109.132 176.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.72 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 64.9 p -121.18 -169.59 1.87 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.657 -1.979 . . . . 1.45 105.657 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.72 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.608 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 1.07 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 1.05 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 1.07 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.19 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 1.08 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 1.06 112.376 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.794 HG23 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 1.12 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 1.03 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.532 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 1.12 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 1.12 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.28 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 1.06 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.41 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 1.59 111.163 -178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 1.05 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.46 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.674 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.8 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 2.06 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.711 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.86 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.651 ' CE2' HG23 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.82 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.489 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 1.06 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.502 HG22 ' HE3' ' A' ' 43' ' ' MET . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 1.39 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.636 ' HB2' ' C28' ' A' ' 101' ' ' SXH 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 1.02 116.404 -172.039 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 1.44 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 1.14 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.59 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 1.14 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.513 HG21 ' O33' ' A' ' 101' ' ' SXH . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 1.19 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.794 ' HA ' HG23 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 1.03 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.94 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 1.49 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.468 ' HB1' HD12 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 1.03 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 1.03 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 2.56 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.608 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.4 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.81 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.636 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 2.09 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.638 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 1.22 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.81 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.466 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 1.43 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.5 ' HB3' ' H37' ' A' ' 101' ' ' SXH . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 1.49 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.818 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 1.12 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 3.34 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 1.07 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.674 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 1.05 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.24 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.818 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 1.11 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.494 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 1.0 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.47 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.638 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 1.08 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 1.57 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -98.0 6.02 48.12 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.97 113.388 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 67.8 mm-40 -48.53 125.5 9.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.265 0.469 . . . . 1.07 112.265 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 O-C-N 124.77 1.294 . . . . 2.75 111.58 179.078 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SXH . . . . . 0.636 ' C28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 0.82 108.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 0.25 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 26' ' ' VAL . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 0.2 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 0.28 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.18 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 0.26 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 0.15 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.8 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 0.25 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 32' ' ' PHE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 0.2 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 0.28 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 0.44 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.27 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.739 HG21 HD13 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 0.25 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.33 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 0.9 112.131 -175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 0.19 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.03 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.743 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.2 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 1.38 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.23 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.39 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 0.41 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.658 ' HB3' HD11 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 21' ' ' ILE . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 0.79 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' HD12 ' A' ' 41' ' ' LEU . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.468 ' H ' HG12 ' A' ' 38' ' ' VAL . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 0.75 112.505 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 39' ' ' ASP . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 0.86 108.482 -177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 0.71 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 0.42 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 0.49 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.8 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 0.3 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG22 HG21 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.49 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 0.84 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 0.25 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 0.21 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 1.72 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.34 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.16 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 1.48 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 0.52 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.41 109.034 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 0.73 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.87 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 0.89 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 2.81 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 0.34 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 0.18 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.2 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 0.21 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.631 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 0.28 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.01 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 0.56 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.642 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 0.32 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 0.92 109.126 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.79 112.681 -176.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.3 p . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 106.906 -1.516 . . . . 0.82 106.906 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 0.25 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 0.2 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 0.28 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 0.26 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 0.15 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 0.25 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 0.2 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 4.0 m-20 -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 0.28 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 0.44 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 0.25 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.33 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 0.9 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 0.19 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.03 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.824 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.2 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 1.38 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.23 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' HG22 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.39 111.483 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 0.41 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 0.79 107.273 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 0.75 111.264 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 0.86 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 0.71 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 0.42 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 0.49 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 0.3 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 63' ' ' VAL . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.49 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 0.84 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 0.25 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 0.21 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 1.72 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.34 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.16 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 1.48 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 0.52 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.41 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 47' ' ' VAL . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 0.73 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 0.87 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 0.89 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 2.81 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 0.34 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 0.18 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.2 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 0.21 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 0.28 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.01 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 0.56 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 0.32 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 0.92 109.733 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.79 112.289 -176.011 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 7' ' ' ILE . 72.7 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 0.82 105.761 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.6 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 0.25 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 0.2 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 0.28 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.18 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 0.26 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 0.15 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 0.25 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 32' ' ' PHE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 0.2 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 0.28 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 0.44 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.27 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.631 ' HB ' HG12 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 0.25 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.33 113.396 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.9 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 HG22 ' A' ' 21' ' ' ILE . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 0.19 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.03 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.2 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 1.38 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.23 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.39 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.6 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 0.41 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 0.79 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 0.75 114.199 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 0.86 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 0.71 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 0.42 111.165 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 0.49 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 0.3 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.49 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 0.84 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 0.25 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 0.21 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 1.72 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.34 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.16 110.317 -175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 1.48 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 0.52 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.41 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 0.73 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 0.87 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 0.89 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 2.81 115.811 -176.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 0.34 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.576 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 0.18 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.2 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 0.21 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.696 ' HA ' HG21 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 0.28 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.01 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 0.56 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD11 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 0.32 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 0.92 110.193 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.79 113.42 -176.66 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 N--CA 1.437 -1.084 0 N-CA-C 108.033 -1.099 . . . . 0.82 108.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 0.25 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 0.2 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 0.28 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.18 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 0.26 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 0.15 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.813 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 0.25 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 0.2 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 0.28 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 0.44 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.27 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.789 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 0.25 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.33 112.296 -178.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.9 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 0.19 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.03 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.88 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.2 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 1.38 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.8 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.23 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.39 109.881 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.8 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 0.41 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 0.79 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 0.75 113.648 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 0.86 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 0.71 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 0.42 111.317 -171.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 0.49 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB2' HD13 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.813 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 0.3 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.49 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 0.84 112.11 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 0.25 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 0.21 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 1.72 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.34 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.16 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.682 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 1.48 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.689 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 0.52 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.41 109.996 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 0.73 112.944 -177.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 0.87 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 2.81 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 0.34 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.88 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 0.18 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.2 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.847 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 0.21 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG21 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 0.28 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.01 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 0.56 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.567 ' HA ' HG11 ' A' ' 56' ' ' VAL . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 0.32 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 0.92 108.798 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 . . . . . 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.79 113.815 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 0.82 106.051 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.74 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 0.25 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 0.2 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 0.28 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.18 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 0.26 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 0.15 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 0.25 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 0.2 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.568 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 0.28 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.27 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 0.25 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.33 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 0.9 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 0.19 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.03 105.785 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.747 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.2 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 1.38 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.23 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.39 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 0.41 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 0.79 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 0.75 111.473 -170.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 39' ' ' ASP . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 0.86 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 0.71 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 0.42 110.301 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 0.49 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.529 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.851 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.49 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.562 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 0.84 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 0.25 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.684 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 1.72 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.34 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG11 HG23 ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.16 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 1.48 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.684 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 0.52 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.41 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 0.73 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 0.87 111.373 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 0.89 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 68' ' ' THR . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 2.81 115.259 176.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 0.34 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 0.18 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.571 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.2 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.509 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 0.21 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.657 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 0.28 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.01 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 0.56 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 56' ' ' VAL . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 0.32 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 7' ' ' ILE . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 0.92 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.79 113.828 -179.415 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 7' ' ' ILE . 30.9 p . . . . . 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 0.82 107.817 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 0.25 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 0.2 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 0.28 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.18 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 0.26 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 0.15 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 0.25 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.63 HG21 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 0.2 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 0.28 111.704 -172.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 0.44 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.27 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 0.25 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.33 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 0.9 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 0.19 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.03 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.784 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.2 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.632 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 1.38 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.43 ' CA ' HG22 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.23 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.63 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.39 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 0.41 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 0.79 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 33' ' ' THR . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 0.75 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 0.86 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 0.71 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 0.42 110.253 -173.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 0.49 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.786 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 0.3 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.49 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 0.84 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 0.25 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 0.21 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.687 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 1.72 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.34 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.16 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 1.48 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.687 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 0.52 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.41 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 0.73 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.592 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 0.87 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 0.89 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 2.81 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 0.34 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 0.18 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.2 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.558 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 0.21 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 0.28 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.01 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 0.56 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 0.32 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 73' ' ' THR . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 0.92 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.79 112.704 -177.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.433 -1.322 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 0.25 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 0.2 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 0.28 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.18 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 0.26 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 0.15 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 0.25 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.668 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 0.2 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 0.28 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 0.44 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.27 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 0.25 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.33 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 0.9 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 0.19 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.03 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.2 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 1.38 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.639 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.23 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.668 ' HE1' HG21 ' A' ' 15' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.39 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 0.41 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 0.79 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 0.75 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 0.86 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' HG21 ' A' ' 18' ' ' ILE . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 0.71 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 0.42 110.616 -172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 0.49 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.759 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 0.3 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.49 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 0.84 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 0.25 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.21 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 1.72 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.34 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.567 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.16 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 1.48 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.598 HD11 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 0.52 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 62' ' ' ASP . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.41 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 0.73 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 0.87 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 2.81 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 0.34 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.18 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.564 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.2 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.794 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 0.21 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 0.28 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.01 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 0.56 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG1' HD11 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 0.32 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 0.92 110.485 -174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.79 113.701 -175.676 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 108.521 -0.918 . . . . 0.82 108.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 0.25 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 0.2 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 0.28 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.18 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 0.26 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 0.15 112.585 -178.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.715 HG21 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 0.25 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 0.2 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.861 HD22 ' HA ' ' A' ' 22' ' ' PRO . 3.3 m120 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 0.28 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 0.44 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.27 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 0.25 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.861 ' HA ' HD22 ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.33 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 0.9 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 0.19 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.03 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.2 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 1.38 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.921 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.23 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.669 ' CE2' HG22 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.39 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.921 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.549 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 0.41 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' H ' ' A' ' 40' ' ' SER . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 0.79 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 38' ' ' VAL . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' HG13 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 0.75 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 0.86 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 0.71 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 0.42 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 0.49 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' HD13 ' A' ' 18' ' ' ILE . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HA ' HG21 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 0.3 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.809 HG22 HG21 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.49 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 0.84 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 0.21 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 1.72 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.34 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.16 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 1.48 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 0.52 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.41 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG21 HG22 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 0.73 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 0.87 112.863 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 58' ' ' ILE . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 0.89 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 2.81 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 0.34 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.718 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 0.18 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.2 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 0.21 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 0.28 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.01 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.548 ' CE2' HG23 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 0.56 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.563 ' HA ' HG11 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 0.32 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 0.92 109.376 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.79 113.081 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.941 -0.763 . . . . 0.82 108.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.632 HG21 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 0.25 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 0.2 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 0.28 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.18 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 0.26 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 0.15 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.87 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 0.25 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 0.2 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 0.28 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 0.44 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.27 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 0.25 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.33 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 0.9 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 0.19 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.03 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.2 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 1.38 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.23 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.39 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 0.41 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 0.79 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 19' ' ' ALA . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.481 ' H ' HG13 ' A' ' 38' ' ' VAL . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 0.75 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 0.86 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 0.71 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 40' ' ' SER . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 0.42 111.098 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 0.49 110.977 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.87 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 0.3 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.636 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.49 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 0.84 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 0.25 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 0.21 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.691 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 1.72 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.34 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.613 HG11 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.16 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 0.52 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.41 109.743 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.556 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.542 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.556 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 0.73 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 0.87 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 0.89 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 2.81 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 0.34 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 0.18 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.2 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.868 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 0.21 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.632 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 0.28 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.01 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 0.56 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.613 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 0.32 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 0.92 108.967 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.79 112.902 -178.517 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.437 -1.116 0 N-CA-C 107.876 -1.157 . . . . 0.82 107.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 0.25 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.457 HG13 HG12 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 0.2 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 0.28 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.18 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 0.26 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 0.15 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 0.25 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 0.2 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.499 HD22 HG13 ' A' ' 23' ' ' VAL . 5.9 m-20 -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.527 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 0.28 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 0.44 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.27 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 0.25 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.33 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 0.9 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 0.19 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.03 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.806 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.2 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 1.38 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.23 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.852 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.39 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 0.41 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 0.79 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.699 ' HB3' HG21 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 0.75 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 0.86 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 0.71 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.649 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 0.42 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 0.49 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.755 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 0.3 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.685 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.49 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 0.84 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 0.25 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 0.21 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 1.72 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.34 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.16 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 1.48 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.668 HD11 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 0.52 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.41 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 60' ' ' ASP . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 0.73 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 0.87 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 0.89 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' THR . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 2.81 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 0.34 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.852 HG22 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 0.18 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.658 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.2 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 0.21 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 0.28 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.01 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 0.56 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 0.32 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 0.92 112.237 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.79 112.074 -177.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 0.82 107.629 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 0.25 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 0.2 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 0.28 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.18 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 0.26 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 0.15 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.748 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 0.25 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 0.2 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 0.28 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 0.44 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.27 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.641 HD11 ' HB3' ' A' ' 37' ' ' ASP . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 0.25 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.33 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 0.9 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 0.19 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.03 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.781 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.2 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.23 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.39 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.606 HD13 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 0.41 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.641 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 40' ' ' SER . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 0.79 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 0.75 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 0.86 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 0.71 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 0.42 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 0.49 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' VAL . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.748 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 0.3 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.661 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.49 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 0.84 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 0.25 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 0.21 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 1.72 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.34 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.16 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 1.48 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 0.52 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' VAL . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.41 108.518 174.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 60' ' ' ASP . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 0.73 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 0.87 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.89 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 2.81 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 0.34 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 0.18 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.2 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.553 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 0.21 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 0.28 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.01 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 0.56 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 0.32 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 0.92 108.483 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.79 111.77 177.743 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 0.82 108.758 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 0.25 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 0.2 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 0.28 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.18 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 0.26 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 0.15 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 0.25 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG21 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 0.2 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.545 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 0.28 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 0.44 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.27 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 0.25 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.33 111.921 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 0.9 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 0.19 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.03 106.107 173.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.765 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.2 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.23 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.39 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.674 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 0.41 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 0.79 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 0.75 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 0.86 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 0.71 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.456 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 0.49 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.771 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 0.3 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.49 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 0.84 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 0.25 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 0.21 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.68 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 1.72 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.34 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.16 112.512 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 1.48 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 0.52 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.41 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 0.73 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 0.87 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 0.89 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 2.81 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 0.34 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.765 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 0.18 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.2 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.856 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 0.21 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.616 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 0.28 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.01 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 0.56 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 0.32 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 0.92 109.373 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.79 113.757 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.1 p . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 0.82 107.976 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 0.25 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 0.2 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.28 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.18 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 0.26 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 0.15 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 0.25 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.688 HG21 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 0.2 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.839 HD22 HG13 ' A' ' 23' ' ' VAL . 4.1 m-20 -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 0.28 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.44 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.27 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.33 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.839 HG13 HD22 ' A' ' 16' ' ' ASN . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.9 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 0.19 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.03 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.2 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 1.38 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.731 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.23 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE1' HG21 ' A' ' 15' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.39 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 31' ' ' SER . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 0.41 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 40' ' ' SER . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 0.79 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.516 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 0.75 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 0.86 107.128 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.557 ' HA ' HG21 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 0.71 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 0.42 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 0.49 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.823 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 0.3 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.49 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 0.84 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 0.25 108.43 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 0.21 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.675 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 1.72 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.34 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.16 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 1.48 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.675 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 0.52 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.41 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.64 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 0.73 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.64 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 0.87 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 0.89 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 2.81 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.731 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 0.34 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 0.18 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.2 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 0.21 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.559 ' HA ' HG21 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 0.28 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.01 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 0.56 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 0.32 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 0.92 110.653 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 . . . . . 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.79 112.973 -177.609 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 0.82 108.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 0.25 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 0.2 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 0.28 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.18 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 15' ' ' VAL . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.26 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 0.15 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.831 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 0.25 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 0.2 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.834 HD22 ' HA ' ' A' ' 22' ' ' PRO . 3.9 m120 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 45' ' ' GLU . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 0.28 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 0.44 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.27 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.673 HG21 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 0.25 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.834 ' HA ' HD22 ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.33 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.639 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 0.9 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 0.19 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.03 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.2 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 1.38 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.718 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.23 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.39 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HG21 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 0.41 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 0.79 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 0.75 115.358 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 0.86 108.308 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 0.71 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 0.42 111.273 -172.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 0.49 109.176 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.831 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 0.3 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.49 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.556 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 0.84 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 0.25 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 0.21 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 1.72 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.34 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.16 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 0.52 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.41 110.097 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 0.73 112.432 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 0.87 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.815 HD13 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 0.89 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 2.81 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 0.34 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 0.18 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.2 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.815 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 0.21 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 0.28 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.01 106.651 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 0.56 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.617 ' HA ' HG11 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 0.32 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 0.92 108.409 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.79 112.797 -177.78 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 0.82 107.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 0.25 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 0.2 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 0.28 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.18 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 0.26 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 0.15 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 0.25 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 0.2 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.642 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 0.28 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 0.44 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.27 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 0.25 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.33 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 0.9 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 HG13 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 0.19 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.03 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.2 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.649 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 1.38 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.825 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.23 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.39 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.649 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 0.41 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 0.79 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.453 ' H ' HG13 ' A' ' 38' ' ' VAL . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 0.75 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 0.86 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.642 ' HA ' HG21 ' A' ' 18' ' ' ILE . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 0.71 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 0.42 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 0.49 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 0.3 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.49 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 0.84 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 0.25 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 0.21 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 1.72 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.34 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 76' ' ' ILE . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.16 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.724 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 1.48 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 0.52 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.41 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.578 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 0.73 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 0.87 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 0.89 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 2.81 115.273 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 0.34 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 0.18 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.2 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.869 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 0.21 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.575 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 0.28 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.01 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 0.56 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 72' ' ' ALA . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 0.32 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 0.92 110.485 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.79 112.348 -176.812 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.404 ' N ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p . . . . . 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 0.82 108.698 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' HB ' ' A' ' 76' ' ' ILE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 0.25 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 0.2 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 0.28 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.18 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 0.26 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 0.15 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.812 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 0.25 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 0.2 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 0.28 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 0.44 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.27 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 0.25 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.33 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 0.9 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 0.19 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.604 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.03 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.872 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.2 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.607 ' HG3' ' OD1' ' A' ' 35' ' ' ASP . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 1.38 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.23 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.825 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.39 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.607 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD13 HG21 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 0.41 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 0.79 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 0.75 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 0.86 107.036 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 0.71 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 0.42 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 0.49 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.812 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.49 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 0.84 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 0.25 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 0.21 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 1.72 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.34 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 76' ' ' ILE . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.16 111.729 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 1.48 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 0.52 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.41 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HA ' HG12 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 0.73 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 0.87 110.14 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 0.89 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 2.81 116.536 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 0.34 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.872 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 0.18 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.2 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.581 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.872 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 0.21 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.551 ' HA ' HG21 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 0.28 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.01 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 0.56 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.615 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 0.32 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.92 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.79 113.591 -175.17 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 0.82 107.568 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 HG12 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 0.2 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 0.28 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.18 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 0.26 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 0.15 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 0.25 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.714 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 0.2 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 0.28 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 0.44 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.27 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 0.25 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.33 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 0.9 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 0.19 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.03 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.2 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 1.38 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.777 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.23 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.714 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.39 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 0.41 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 0.79 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 0.75 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 0.86 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 0.71 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.708 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 0.42 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 0.49 108.705 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' HB2' HD13 ' A' ' 18' ' ' ILE . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.3 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.701 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.49 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 0.84 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.497 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 0.25 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 0.21 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 1.72 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.34 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.16 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 1.48 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.594 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 0.52 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.41 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 0.73 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 0.87 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 2.81 116.42 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.777 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 0.34 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.702 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 0.18 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.2 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.494 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.866 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 0.21 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 0.28 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.01 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 0.56 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.525 HG12 HD11 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 0.32 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 0.92 109.281 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.79 114.325 -176.769 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.4 ' N ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p . . . . . 0 N--CA 1.412 -2.362 0 N-CA-C 107.697 -1.223 . . . . 0.82 107.697 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HB2' ' N ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 0.25 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 0.2 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 0.28 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.18 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 0.26 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 0.15 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 0.25 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 0.2 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 0.28 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 0.44 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.27 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 0.25 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.557 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.33 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 0.9 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG13 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 0.19 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.03 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.2 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 1.38 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 1.016 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.23 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 15' ' ' VAL . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.39 112.611 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 1.016 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 0.41 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 0.79 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 0.75 113.451 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 0.86 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.626 ' HA ' HG21 ' A' ' 18' ' ' ILE . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 0.71 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 0.42 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 0.49 108.69 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.77 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 0.3 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.49 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 0.84 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 0.25 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 0.21 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 1.72 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG11 HG23 ' A' ' 76' ' ' ILE . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.16 110.782 -169.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.596 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 1.48 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 0.52 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.41 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG23 HD12 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 0.73 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 0.87 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG23 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 0.89 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 2.81 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 0.34 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.63 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 0.18 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.2 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' O ' HD22 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 0.21 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.509 ' HA ' HG21 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 0.28 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.01 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 0.56 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 0.32 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 0.92 109.708 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.414 ' HB3' HG23 ' A' ' 56' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.79 112.08 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 0.82 108.049 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 0.25 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 HG12 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.2 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 0.28 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.18 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 0.26 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 0.15 110.34 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.895 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 0.25 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 0.2 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 0.28 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 0.44 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.27 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 0.25 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.33 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 0.9 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG12 HG13 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 0.19 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.03 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.865 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.2 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 1.38 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.775 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.23 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.39 112.192 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.775 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 0.41 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 21' ' ' ILE . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 0.79 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.438 ' H ' HG13 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 0.75 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 0.86 109.007 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 0.71 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.431 ' HE2' HG21 ' A' ' 38' ' ' VAL . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 0.42 110.993 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 0.49 109.45 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.895 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 0.3 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.49 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 0.84 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 0.25 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 0.21 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 1.72 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.34 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.16 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 1.48 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.652 HG21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 0.52 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.41 109.712 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HA ' HG21 ' A' ' 47' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.503 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 0.73 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 0.87 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 0.89 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 2.81 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 0.34 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.865 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 0.18 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.2 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 0.21 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 0.28 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.01 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 0.56 110.74 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 0.32 112.293 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 0.92 110.485 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.79 112.901 -176.471 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.9 p . . . . . 0 CA--C 1.496 -1.131 0 N-CA-C 105.657 -1.979 . . . . 0.82 105.657 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.52 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 0.25 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.481 HG13 HG12 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 0.2 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 0.28 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.18 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 0.26 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 0.15 112.376 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 0.25 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.651 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 0.2 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 0.28 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 0.44 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.27 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 0.25 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.33 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.429 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 0.9 111.163 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG12 HG13 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 0.19 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.03 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.2 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 1.38 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.23 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.661 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.39 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 0.41 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 0.79 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 0.75 116.404 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 0.86 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.598 ' HA ' HG21 ' A' ' 18' ' ' ILE . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 0.71 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.606 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 0.42 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 41' ' ' LEU . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 0.49 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 0.3 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.63 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.49 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 0.84 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 0.25 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 0.21 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 1.72 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.34 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.16 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 1.48 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 0.52 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.41 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 0.73 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 0.89 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 2.81 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 0.34 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.691 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 0.18 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.2 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.803 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 0.21 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 0.28 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.01 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 0.56 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 0.32 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 3' ' ' THR . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 0.92 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.79 113.388 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.43 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 -178.92 6.67 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.654 -0.703 . . . . 0.87 109.748 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.766 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 33.7 p -128.9 -168.0 1.86 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 0.82 108.04 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.414 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.766 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 0.25 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 26' ' ' VAL . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 0.2 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 0.28 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.18 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 0.26 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 0.15 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.8 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 0.25 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 32' ' ' PHE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 0.2 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 0.28 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 0.44 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.27 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.739 HG21 HD13 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 0.25 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.33 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 0.9 112.131 -175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 0.19 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.03 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.743 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.2 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 1.38 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.23 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.39 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 0.41 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.658 ' HB3' HD11 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 21' ' ' ILE . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 0.79 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' HD12 ' A' ' 41' ' ' LEU . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.468 ' H ' HG12 ' A' ' 38' ' ' VAL . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 0.75 112.505 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 39' ' ' ASP . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 0.86 108.482 -177.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 0.71 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 0.42 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 0.49 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.8 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 0.3 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG22 HG21 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.49 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 0.84 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 0.25 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 0.21 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 1.72 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.34 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.16 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 1.48 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 0.52 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.41 109.034 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 0.73 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' H37A ' A' ' 101' ' ' SXH . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.87 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 0.89 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 2.81 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 0.34 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 0.18 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.2 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 0.21 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.631 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 0.28 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.01 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 0.56 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.642 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 0.32 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 0.92 109.126 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -100.57 6.34 44.17 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.79 112.681 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.626 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.7 mm-40 -52.06 152.21 3.3 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.064 1.135 . . . . 1.07 114.064 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.512 0 N-CA-C 107.722 -1.214 . . . . 2.75 107.722 174.255 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.688 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 120.867 0.365 . . . . 1.43 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.03 3.34 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 106.758 -1.571 . . . . 0.87 106.758 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.749 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.3 p -131.32 -172.96 2.98 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 106.906 -1.516 . . . . 0.82 106.906 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.749 ' HB2' ' H ' ' A' ' 3' ' ' THR . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 0.25 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 0.2 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 0.28 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 0.26 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 0.15 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 0.25 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 0.2 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 4.0 m-20 -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 0.28 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 0.44 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 0.25 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.33 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 0.9 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 0.19 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.03 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.824 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.2 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 1.38 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.23 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' HG22 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.496 HG22 ' S1 ' ' A' ' 101' ' ' SXH . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.39 111.483 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 0.41 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 43' ' ' MET . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 0.79 107.273 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' H28A ' A' ' 101' ' ' SXH . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 0.75 111.264 -174.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 0.86 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 0.71 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE2' HG21 ' A' ' 38' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 0.42 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 0.49 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 0.3 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 63' ' ' VAL . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.49 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 0.84 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 0.25 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 0.21 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 1.72 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.34 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.16 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 1.48 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 0.52 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.41 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 0.73 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 0.87 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 0.89 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 2.81 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 0.34 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 0.18 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.2 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 0.21 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 0.28 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.01 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 0.56 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 0.32 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 0.92 109.733 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.2 6.29 49.44 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.79 112.289 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -48.83 136.57 13.7 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 114.464 1.283 . . . . 1.07 114.464 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.18 0 CA-C-N 114.163 -1.381 . . . . 2.75 107.717 175.801 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.571 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 109.294 -0.632 . . . . 1.43 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.6 173.18 10.35 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.158 -0.474 . . . . 0.87 110.066 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.713 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 72.7 p -119.34 -170.4 1.92 Allowed 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 0.82 105.761 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.6 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.713 ' HB2' ' H ' ' A' ' 3' ' ' THR . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 0.25 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 0.2 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 0.28 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.18 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 0.26 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 0.15 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 0.25 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 32' ' ' PHE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 0.2 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 0.28 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 0.44 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.27 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.631 ' HB ' HG12 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 0.25 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.33 113.396 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.9 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 HG22 ' A' ' 21' ' ' ILE . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 0.19 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.03 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.2 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 1.38 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.23 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.39 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 0.41 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG21 ' HE2' ' A' ' 43' ' ' MET . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 0.79 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.446 ' O ' H28A ' A' ' 101' ' ' SXH . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 0.75 114.199 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 0.86 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 0.71 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.608 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 0.42 111.165 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 0.49 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 0.3 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.49 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 0.84 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 0.25 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 0.21 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 1.72 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.34 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.16 110.317 -175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 1.48 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 0.52 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.41 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG22 ' H2 ' ' A' ' 101' ' ' SXH . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 0.73 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 0.87 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 0.89 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 2.81 115.811 -176.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 0.34 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.576 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 0.18 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.2 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 0.21 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.696 ' HA ' HG21 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 0.28 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.01 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 0.56 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD11 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 0.32 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 0.92 110.193 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -98.52 5.5 47.88 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.79 113.42 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.69 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.5 mm-40 -44.23 120.5 2.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.87 1.063 . . . . 1.07 113.87 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.35 0 CA-C-N 115.246 -0.888 . . . . 2.75 108.657 -178.686 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.743 ' H2 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 N-CA-C 109.044 -0.724 . . . . 1.43 109.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -138.82 162.08 35.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 106.225 -1.768 . . . . 0.87 106.225 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 49.8 p -114.25 -159.61 0.7 Allowed 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.033 -1.099 . . . . 0.82 108.033 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.722 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 0.25 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 0.2 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 0.28 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.18 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 0.26 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 0.15 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.813 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 0.25 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 0.2 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 0.28 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 0.44 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.27 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.789 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 0.25 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.33 112.296 -178.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.9 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 0.19 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.03 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.88 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.2 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 1.38 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.8 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.23 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.39 109.881 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.8 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 0.41 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 0.79 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 0.75 113.648 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 0.86 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 0.71 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.684 ' HG2' H43A ' A' ' 101' ' ' SXH . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 0.42 111.317 -171.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 0.49 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB2' HD13 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.813 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 0.3 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.49 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 0.84 112.11 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 0.25 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 0.21 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 1.72 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.34 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.16 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.682 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 1.48 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.689 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 0.52 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.41 109.996 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 0.73 112.944 -177.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 0.87 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 2.81 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 0.34 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.88 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 0.18 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.2 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.847 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 0.21 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG21 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 0.28 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.01 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 0.56 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.567 ' HA ' HG11 ' A' ' 56' ' ' VAL . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 0.32 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 2' ' ' ALA . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 0.92 108.798 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 -97.51 6.31 48.32 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.79 113.815 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 14.1 mm100 -48.55 159.33 0.23 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.003 1.112 . . . . 1.07 114.003 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.203 -0.908 . . . . 2.75 109.933 178.752 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.684 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.131 -0.692 . . . . 1.43 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -155.76 -167.97 2.65 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.146 -0.687 . . . . 0.87 109.146 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.761 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.8 p -138.01 -170.05 2.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 0.82 106.051 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.74 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 0.25 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 0.2 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 0.28 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.18 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 0.26 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 0.15 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 0.25 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 0.2 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.568 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 0.28 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.27 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 0.25 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.33 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 0.9 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 0.19 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.03 105.785 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.747 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.2 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 1.38 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.23 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.39 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 0.41 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 0.79 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.442 ' HB2' H28A ' A' ' 101' ' ' SXH . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 0.75 111.473 -170.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD23 H31B ' A' ' 101' ' ' SXH . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 0.86 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 0.71 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.825 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 0.42 110.301 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 0.49 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.529 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.851 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.49 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.562 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 0.84 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 0.25 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.684 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 1.72 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.34 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG11 HG23 ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.16 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 1.48 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.684 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 0.52 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.41 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 0.73 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HB3' ' C37' ' A' ' 101' ' ' SXH . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 0.87 111.373 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 0.89 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 68' ' ' THR . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 2.81 115.259 176.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 0.34 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 0.18 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.571 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.2 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.509 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 0.21 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.657 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 0.28 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.01 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 0.56 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 56' ' ' VAL . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 0.32 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 0.92 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -102.56 6.23 39.74 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.79 113.828 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 69.5 mm-40 -46.74 144.34 2.39 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.215 1.561 . . . . 1.07 115.215 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 106.999 -1.482 . . . . 2.75 106.999 175.671 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.825 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.394 0.616 . . . . 1.43 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -83.57 173.43 11.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.176 -0.92 . . . . 0.87 109.184 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.677 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 30.9 p -118.35 -169.52 1.72 Allowed 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 0.82 107.817 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 0.25 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 0.2 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 0.28 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.18 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 0.26 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 0.15 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 0.25 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.63 HG21 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 0.2 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 0.28 111.704 -172.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 0.44 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.27 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 0.25 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.33 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 0.9 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 0.19 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.03 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.784 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.2 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.632 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 1.38 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.43 ' CA ' HG22 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.23 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.63 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.39 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 0.41 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 0.79 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.638 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 0.75 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 0.86 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 0.71 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.913 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 0.42 110.253 -173.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 0.49 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.786 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 0.3 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.49 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 0.84 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 0.25 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 0.21 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.687 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 1.72 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.34 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.16 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 1.48 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.687 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 0.52 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.41 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 0.73 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.592 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 0.87 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 0.89 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 2.81 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 0.34 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 0.18 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.2 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.558 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 0.21 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 0.28 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.01 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 0.56 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 0.32 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 0.92 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -98.89 6.22 46.9 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.79 112.704 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.5 mm-40 -51.43 153.56 2.13 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.818 1.414 . . . . 1.07 114.818 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.526 0 N-CA-C 107.611 -1.255 . . . . 2.75 107.611 177.76 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.913 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 N-CA-C 108.564 -0.902 . . . . 1.43 108.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.62 -168.71 2.25 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.91 -0.774 . . . . 0.87 108.91 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.731 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.0 p -126.43 -170.54 2.22 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.731 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 0.25 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 0.2 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 0.28 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.18 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD22 ' H6 ' ' A' ' 101' ' ' SXH . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 0.26 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 0.15 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 0.25 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.668 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 0.2 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 0.28 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 0.44 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.27 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 0.25 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.33 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 0.9 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 0.19 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.03 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.2 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 1.38 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.639 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.23 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.668 ' HE1' HG21 ' A' ' 15' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.39 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 0.41 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 0.79 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 0.75 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 0.86 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' HG21 ' A' ' 18' ' ' ILE . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 0.71 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.546 ' HG2' H43A ' A' ' 101' ' ' SXH . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 0.42 110.616 -172.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 0.49 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.759 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 0.3 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.49 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 0.84 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 0.25 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.21 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 1.72 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.34 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.567 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.16 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 1.48 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.598 HD11 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 0.52 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 62' ' ' ASP . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.41 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 0.73 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 0.87 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 2.81 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 0.34 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.18 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.564 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.2 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.794 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 0.21 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 0.28 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.01 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 0.56 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG1' HD11 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 0.32 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 0.92 110.485 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -99.53 -14.81 18.89 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.79 113.701 -175.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.468 ' CD ' ' HA ' ' A' ' 77' ' ' LEU . 3.8 pt20 -70.3 133.03 46.58 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.731 0.641 . . . . 1.07 112.731 -177.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.446 0 C-N-CA 125.11 1.364 . . . . 2.75 111.609 176.853 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.688 ' H6 ' HD22 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.824 -0.435 . . . . 1.43 109.824 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 160.72 29.0 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.063 0.227 . . . . 0.87 110.54 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.761 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 14.7 p -117.51 -162.63 0.88 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.521 -0.918 . . . . 0.82 108.521 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' HB2' ' H ' ' A' ' 3' ' ' THR . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 0.25 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 0.2 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 0.28 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.18 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 0.26 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 0.15 112.585 -178.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.715 HG21 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 0.25 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 0.2 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.861 HD22 ' HA ' ' A' ' 22' ' ' PRO . 3.3 m120 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 0.28 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 0.44 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.27 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 0.25 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.861 ' HA ' HD22 ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.33 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 0.9 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 0.19 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.03 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.2 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 1.38 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.921 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.23 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.669 ' CE2' HG22 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.39 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.921 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.549 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 0.41 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' H ' ' A' ' 40' ' ' SER . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 0.79 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 38' ' ' VAL . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' HG13 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 0.75 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 0.86 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 0.71 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 0.42 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 0.49 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' HD13 ' A' ' 18' ' ' ILE . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HA ' HG21 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 0.3 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.809 HG22 HG21 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.49 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 0.84 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 0.21 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 1.72 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.34 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.16 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 1.48 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 0.52 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.41 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG21 HG22 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 0.73 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.717 ' HB3' H37A ' A' ' 101' ' ' SXH . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 0.87 112.863 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.746 ' HB2' ' H2 ' ' A' ' 101' ' ' SXH . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 0.89 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 2.81 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 0.34 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.718 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 0.18 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.2 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 0.21 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 0.28 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.01 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.548 ' CE2' HG23 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 0.56 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.563 ' HA ' HG11 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 0.32 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.531 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 0.92 109.376 -177.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -100.32 5.67 44.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.79 113.081 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 71.5 mm-40 -49.44 118.5 2.78 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.796 0.665 . . . . 1.07 112.796 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.434 0 O-C-N 124.395 1.059 . . . . 2.75 112.011 175.783 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.746 ' H2 ' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.158 0.504 . . . . 1.43 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 169.7 17.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.669 -0.696 . . . . 0.87 109.964 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.739 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 32.1 p -123.02 -162.25 1.01 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.941 -0.763 . . . . 0.82 108.941 -174.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.739 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.632 HG21 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 0.25 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 0.2 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 0.28 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.18 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 0.26 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 0.15 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.87 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 0.25 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 0.2 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 0.28 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 0.44 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.27 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 0.25 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.33 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 0.9 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 0.19 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.03 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.2 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 1.38 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.23 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.39 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 0.41 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 0.79 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 19' ' ' ALA . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.481 ' H ' HG13 ' A' ' 38' ' ' VAL . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 0.75 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 0.86 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 0.71 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.696 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 0.42 111.098 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 0.49 110.977 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.87 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 0.3 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.636 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.49 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 0.84 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 0.25 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 0.21 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.691 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 1.72 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.34 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.613 HG11 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.16 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 0.52 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.41 109.743 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.556 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.542 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.663 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 0.73 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 0.87 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 0.89 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 2.81 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 0.34 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 0.18 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.2 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.868 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 0.21 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.632 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 0.28 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.01 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 0.56 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.613 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 0.32 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 0.92 108.967 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -102.47 6.23 39.96 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.79 112.902 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 55.8 mm-40 -51.97 157.58 1.24 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.677 1.362 . . . . 1.07 114.677 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.597 0 CA-C-N 114.051 -1.431 . . . . 2.75 107.285 176.263 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.766 ' H4 ' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.914 -0.773 . . . . 1.43 108.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.05 -162.4 1.15 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.59 -0.892 . . . . 0.87 108.59 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 29.4 p -130.21 -172.49 2.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.876 -1.157 . . . . 0.82 107.876 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 0.25 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.457 HG13 HG12 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 0.2 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 0.28 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.18 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 0.26 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 0.15 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 0.25 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 0.2 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.499 HD22 HG13 ' A' ' 23' ' ' VAL . 5.9 m-20 -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.527 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 0.28 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 0.44 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.27 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 0.25 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.33 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 0.9 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 0.19 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.03 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.806 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.2 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 1.38 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.23 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.852 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.39 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 0.41 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 0.79 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.699 ' HB3' HG21 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 0.75 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 0.86 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 0.71 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.649 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 0.42 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O33' ' A' ' 101' ' ' SXH . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 0.49 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.755 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 0.3 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.685 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.49 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 0.84 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 0.25 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 0.21 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 1.72 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.34 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.16 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 1.48 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.668 HD11 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 0.52 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.41 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 0.73 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 0.87 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 0.89 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 2.81 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 0.34 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.852 HG22 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 0.18 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.658 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.2 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 0.21 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 0.28 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.01 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 0.56 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 0.32 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 0.92 112.237 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -102.07 5.38 40.49 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.79 112.074 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HG3' ' HA ' ' A' ' 77' ' ' LEU . 36.9 mt-30 -69.59 159.64 33.02 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.583 0.957 . . . . 1.07 113.583 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.039 0 N-CA-C 107.008 -1.478 . . . . 2.75 107.008 175.382 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.896 ' S1 ' ' HG2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.798 0.333 . . . . 1.43 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.3 -176.6 3.45 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 124.225 1.01 . . . . 0.87 110.221 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.752 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 22.3 p -138.55 -170.41 2.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 0.82 107.629 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.752 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 0.25 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 0.2 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 0.28 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.18 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 0.26 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 0.15 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.748 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 0.25 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 0.2 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 0.28 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 0.44 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.27 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.641 HD11 ' HB3' ' A' ' 37' ' ' ASP . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 0.25 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.33 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 0.9 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 0.19 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.03 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.781 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.2 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.23 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.39 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.606 HD13 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 0.41 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.641 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 40' ' ' SER . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 0.79 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 0.75 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 0.86 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 0.71 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 0.42 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 0.49 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' VAL . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.748 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 0.3 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.661 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.49 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 0.84 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 0.25 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 0.21 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 1.72 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.34 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.16 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 1.48 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 0.52 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' VAL . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.41 108.518 174.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 0.73 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 0.87 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.89 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 2.81 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 0.34 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 0.18 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.2 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.553 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 0.21 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 0.28 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.01 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 0.56 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 0.32 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 0.92 108.483 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -81.36 -60.1 2.39 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.79 111.77 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 6.5 mm-40 49.86 -170.64 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 115.19 1.552 . . . . 1.07 115.19 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 107.678 -1.23 . . . . 2.75 107.678 174.844 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.687 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 110.027 -0.36 . . . . 1.43 110.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.96 161.32 34.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.229 -1.026 . . . . 0.87 108.229 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.753 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.7 p -117.43 -166.51 1.19 Allowed 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 0.82 108.758 -176.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.6 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.753 ' HB2' ' H ' ' A' ' 3' ' ' THR . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 0.25 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 0.2 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 0.28 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.18 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 0.26 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 0.15 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 0.25 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG21 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 0.2 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.545 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 0.28 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 0.44 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.27 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 0.25 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.33 111.921 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 0.9 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 0.19 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.03 106.107 173.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.765 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.2 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.23 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.39 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.674 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 0.41 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 0.79 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 0.75 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 0.86 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 0.71 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.747 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 0.49 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.771 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 0.3 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.49 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 0.84 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 0.25 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 0.21 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.68 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 1.72 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.34 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.16 112.512 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 1.48 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 0.52 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.41 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG22 ' H2 ' ' A' ' 101' ' ' SXH . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 0.73 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.582 ' HB3' H37A ' A' ' 101' ' ' SXH . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 0.87 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 0.89 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 2.81 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 0.34 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.765 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 0.18 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.2 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.856 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 0.21 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.616 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 0.28 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.01 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 0.56 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 0.32 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 0.92 109.373 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -98.19 5.89 48.02 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.79 113.757 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.477 HE21 HG22 ' A' ' 76' ' ' ILE . 73.7 mm-40 -53.12 119.0 4.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.897 0.479 . . . . 1.07 111.991 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 0 C-N-CA 125.096 1.358 . . . . 2.75 110.494 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.747 ' H5 ' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.521 0.677 . . . . 1.43 111.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 170.12 16.94 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.328 -0.851 . . . . 0.87 108.991 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.745 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.1 p -116.7 -168.45 1.46 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 0.82 107.976 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.745 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 0.25 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 0.2 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.28 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.18 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 0.26 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 0.15 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 0.25 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.688 HG21 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 0.2 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.839 HD22 HG13 ' A' ' 23' ' ' VAL . 4.1 m-20 -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 0.28 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.44 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.27 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.33 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.839 HG13 HD22 ' A' ' 16' ' ' ASN . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.9 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 0.19 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.03 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.2 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 1.38 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.731 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.23 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE1' HG21 ' A' ' 15' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.39 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 31' ' ' SER . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 0.41 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 40' ' ' SER . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 0.79 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.516 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 0.75 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD23 H31B ' A' ' 101' ' ' SXH . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 0.86 107.128 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.557 ' HA ' HG21 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 0.71 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.789 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 0.42 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 0.49 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.823 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 0.3 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.49 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 0.84 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 0.25 108.43 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 0.21 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.675 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 1.72 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.34 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.16 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 1.48 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.675 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 0.52 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.41 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.64 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 0.73 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.64 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 0.87 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 0.89 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 2.81 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.731 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 0.34 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 0.18 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.2 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 0.21 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.559 ' HA ' HG21 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 0.28 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.01 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 0.56 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 0.32 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.718 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 0.92 110.653 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.06 6.27 40.95 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.79 112.973 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.718 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.0 mm-40 -48.1 155.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.218 1.562 . . . . 1.07 115.218 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.283 0 CA-C-N 113.815 -1.538 . . . . 2.75 106.959 177.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.789 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.022 0 N-CA-C 108.905 -0.776 . . . . 1.43 108.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.79 144.96 52.51 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 115.258 -0.883 . . . . 0.87 109.913 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.679 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.8 p -107.58 -167.3 1.24 Allowed 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 0.82 108.721 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 0.25 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 0.2 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 0.28 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.18 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' H6B' ' A' ' 101' ' ' SXH . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.26 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 0.15 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.831 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 0.25 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 0.2 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.834 HD22 ' HA ' ' A' ' 22' ' ' PRO . 3.9 m120 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 45' ' ' GLU . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 0.28 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 0.44 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.27 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG21 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 0.25 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.834 ' HA ' HD22 ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.33 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.639 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 0.9 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 0.19 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.03 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.2 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 1.38 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.718 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.23 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.39 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HG21 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 0.41 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 0.79 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.485 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 0.75 115.358 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 0.86 108.308 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 0.71 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.727 ' HG2' H43A ' A' ' 101' ' ' SXH . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 0.42 111.273 -172.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 0.49 109.176 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.831 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 0.3 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.49 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.556 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 0.84 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 0.25 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 0.21 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 1.72 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.34 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.16 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 0.52 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.41 110.097 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' ' H32' ' A' ' 101' ' ' SXH . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG21 ' H5A' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 0.73 112.432 -177.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 0.87 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.815 HD13 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 0.89 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 2.81 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 0.34 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 0.18 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.2 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.815 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 0.21 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 0.28 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.01 106.651 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 0.56 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.617 ' HA ' HG11 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 0.32 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 0.92 108.409 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -101.26 6.49 42.92 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.79 112.797 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 25.0 mm-40 -43.04 132.11 4.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.226 0.61 . . . . 1.07 111.547 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 107.754 -1.202 . . . . 2.75 107.754 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.727 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.229 -0.656 . . . . 1.43 109.229 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.44 -179.07 7.82 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.443 -0.577 . . . . 0.87 109.443 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.716 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 47.4 p -129.95 -170.79 2.38 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 0.82 107.858 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.716 ' HB2' ' H ' ' A' ' 3' ' ' THR . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 0.25 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 0.2 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 0.28 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.18 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 0.26 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 0.15 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 0.25 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 0.2 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.642 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 0.28 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 0.44 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.27 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 0.25 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.33 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 0.9 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 HG13 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 0.19 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.03 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.2 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.649 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 1.38 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.825 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.23 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.39 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.649 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 0.41 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 0.79 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.453 ' H ' HG13 ' A' ' 38' ' ' VAL . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 0.75 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 0.86 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.642 ' HA ' HG21 ' A' ' 18' ' ' ILE . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 0.71 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 0.42 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 0.49 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 0.3 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.49 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 0.84 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 0.25 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 0.21 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 1.72 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.34 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 80' ' ' GLN . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.16 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.724 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 1.48 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 0.52 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.41 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG13 ' H2 ' ' A' ' 101' ' ' SXH . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 0.73 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 0.87 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 0.89 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 2.81 115.273 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 0.34 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 0.18 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.2 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.869 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 0.21 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.575 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 0.28 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.01 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 0.56 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 72' ' ' ALA . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 0.32 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 0.92 110.485 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -97.08 6.52 48.41 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.79 112.348 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HA ' HG22 ' A' ' 56' ' ' VAL . 9.4 mm100 -52.54 158.42 1.27 Allowed 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 114.227 1.195 . . . . 1.07 114.227 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.186 0 N-CA-C 106.78 -1.563 . . . . 2.75 106.78 173.908 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.681 ' H2 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 109.407 -0.59 . . . . 1.43 109.407 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.27 165.59 11.38 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.866 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p -126.2 -165.78 1.48 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 0.82 108.698 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.821 ' HB3' ' H ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' HB ' ' A' ' 76' ' ' ILE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 0.25 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 0.2 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 0.28 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.18 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 0.26 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 0.15 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.812 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 0.25 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 0.2 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 0.28 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 0.44 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.27 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 0.25 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.33 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 0.9 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 0.19 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.604 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.03 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.872 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.2 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.607 ' HG3' ' OD1' ' A' ' 35' ' ' ASP . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 1.38 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.23 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.825 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.39 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.607 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD13 HG21 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 0.41 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 0.79 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 0.75 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 0.86 107.036 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 0.71 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.904 ' HG2' H43A ' A' ' 101' ' ' SXH . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 0.42 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG22 H31B ' A' ' 101' ' ' SXH . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 0.49 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.812 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.49 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 0.84 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 0.25 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 0.21 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 1.72 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.34 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 76' ' ' ILE . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.16 111.729 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 1.48 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 0.52 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.41 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HA ' HG12 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 0.73 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.723 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 0.87 110.14 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 0.89 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HA ' ' O1 ' ' A' ' 101' ' ' SXH . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 2.81 116.536 177.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 0.34 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.872 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 0.18 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.2 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.581 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.872 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 0.21 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.551 ' HA ' HG21 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 0.28 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.01 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 0.56 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.615 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 0.32 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.92 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -96.77 6.11 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.79 113.591 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.416 HE21 HG22 ' A' ' 76' ' ' ILE . 79.4 mm-40 -47.99 118.46 2.37 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.466 0.707 . . . . 1.07 112.744 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.164 1.386 . . . . 2.75 112.821 176.626 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.904 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.762 -0.458 . . . . 1.43 109.762 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.62 161.01 24.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.683 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.732 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 34.7 p -120.59 -166.51 1.33 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 0.82 107.568 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB2' ' H ' ' A' ' 3' ' ' THR . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 HG12 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 0.2 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 0.28 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.18 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 0.26 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 0.15 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 0.25 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.714 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 0.2 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 0.28 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 0.44 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.27 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 0.25 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.33 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 0.9 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 0.19 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.03 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.2 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 1.38 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.777 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.23 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.714 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.39 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 0.41 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 0.79 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 0.75 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 0.86 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 0.71 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.966 ' HG2' H43A ' A' ' 101' ' ' SXH . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 0.42 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG22 H31B ' A' ' 101' ' ' SXH . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 0.49 108.705 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' HB2' HD13 ' A' ' 18' ' ' ILE . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.3 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.701 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.49 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 0.84 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.497 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 0.25 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 0.21 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 1.72 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.34 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.16 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 1.48 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.594 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 0.52 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.41 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 0.73 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.762 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 0.87 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HA ' ' O1 ' ' A' ' 101' ' ' SXH . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 2.81 116.42 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.777 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 0.34 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.702 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 0.18 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.2 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.494 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.866 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 0.21 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 0.28 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.01 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 0.56 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.525 HG12 HD11 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 0.32 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 0.92 109.281 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.58 5.66 50.29 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.79 114.325 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.526 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 75.5 mm-40 -56.39 124.11 16.97 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.995 0.368 . . . . 1.07 111.995 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.142 1.377 . . . . 2.75 112.248 174.136 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.966 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 108.549 -0.908 . . . . 1.43 108.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.12 43.56 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-O 121.506 0.67 . . . . 0.87 110.464 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.727 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p -115.81 -161.89 0.81 Allowed 'General case' 0 C--N 1.28 -2.42 0 N-CA-C 107.697 -1.223 . . . . 0.82 107.697 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.727 ' HB2' ' H ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 0.25 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 0.2 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 0.28 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.18 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 0.26 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 0.15 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 0.25 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 0.2 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 0.28 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 0.44 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.27 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 0.25 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.557 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.33 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 0.9 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG13 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 0.19 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.03 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.2 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 1.38 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 1.016 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.23 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.729 ' CD2' ' H3A' ' A' ' 101' ' ' SXH . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.39 112.611 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 1.016 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 0.41 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 0.79 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.554 ' HB3' H28A ' A' ' 101' ' ' SXH . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 0.75 113.451 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 0.86 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.626 ' HA ' HG21 ' A' ' 18' ' ' ILE . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 0.71 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.613 ' SD ' ' H5A' ' A' ' 101' ' ' SXH . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 0.42 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 0.49 108.69 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.77 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 0.3 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.49 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 0.84 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 0.25 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 0.21 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 1.72 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG11 HG23 ' A' ' 76' ' ' ILE . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.16 110.782 -169.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.596 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 1.48 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 0.52 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.41 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG23 HD12 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 0.73 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 0.87 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG23 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 0.89 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 2.81 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 0.34 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.63 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 0.18 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.2 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' O ' HD22 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 0.21 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.509 ' HA ' HG21 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 0.28 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.01 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 0.56 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 0.32 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 0.92 109.708 -176.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.414 ' HB3' HG23 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -92.81 6.23 48.38 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.79 112.08 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 7.8 mm-40 -36.6 133.05 0.58 Allowed 'General case' 0 C--O 1.248 1.002 0 N-CA-C 115.613 1.708 . . . . 1.07 115.613 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.506 0 CA-C-N 113.702 -1.59 . . . . 2.75 108.984 175.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.759 ' H4A' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.558 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.198 0.523 . . . . 1.43 111.456 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -86.87 -177.02 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.542 0.737 . . . . 0.87 109.899 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.725 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 40.0 p -124.92 -170.75 2.22 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 0.82 108.049 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.725 ' HB2' ' H ' ' A' ' 3' ' ' THR . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 0.25 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 HG12 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.2 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 0.28 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.18 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 0.26 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 0.15 110.34 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.895 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 0.25 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 0.2 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 0.28 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 0.44 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.27 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 0.25 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.33 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 0.9 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG12 HG13 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 0.19 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.03 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.865 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.2 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 1.38 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.775 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.23 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.39 112.192 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.775 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 0.41 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 21' ' ' ILE . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 0.79 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.438 ' H ' HG13 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 0.75 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 0.86 109.007 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 0.71 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.452 ' HG2' H43A ' A' ' 101' ' ' SXH . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 0.42 110.993 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 0.49 109.45 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.895 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 0.3 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.49 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 0.84 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 0.25 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 0.21 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 1.72 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.34 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.16 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 1.48 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.652 HG21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 0.52 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.41 109.712 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HA ' HG21 ' A' ' 47' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.503 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 0.73 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 0.87 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 0.89 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 2.81 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 0.34 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.865 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 0.18 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.2 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 0.21 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 0.28 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.01 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 0.56 110.74 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.51 HG22 HE21 ' A' ' 80' ' ' GLN . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 0.32 112.293 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.643 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 0.92 110.485 -175.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -101.19 7.1 43.25 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.79 112.901 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 49.7 mm-40 -44.89 147.76 0.62 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.713 1.746 . . . . 1.07 115.713 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.673 0 CA-C-N 114.01 -1.45 . . . . 2.75 107.159 175.777 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.452 ' H6B' HD22 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.542 0 N-CA-C 109.308 -0.627 . . . . 1.43 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' HB3' ' NE2' ' A' ' 80' ' ' GLN . . . -90.94 168.87 11.36 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.87 109.132 176.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.805 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 64.9 p -121.18 -169.59 1.87 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.657 -1.979 . . . . 0.82 105.657 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.805 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 0.25 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.481 HG13 HG12 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 0.2 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 0.28 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.18 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 0.26 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 0.15 112.376 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 0.25 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.651 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 0.2 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 0.28 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 0.44 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.27 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 0.25 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.33 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.429 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 0.9 111.163 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG12 HG13 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 0.19 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.03 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.2 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 1.38 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.23 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.661 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.39 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 0.41 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 0.79 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.635 ' HB2' ' C28' ' A' ' 101' ' ' SXH 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 0.75 116.404 -172.039 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 0.86 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.598 ' HA ' HG21 ' A' ' 18' ' ' ILE . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 0.71 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.606 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 0.42 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' O33' ' A' ' 101' ' ' SXH . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 0.49 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 0.3 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.63 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.49 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 0.84 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 0.25 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 0.21 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 1.72 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.34 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.16 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 1.48 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 0.52 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.41 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 0.73 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' HB3' H37A ' A' ' 101' ' ' SXH . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 0.89 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 2.81 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 0.34 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.691 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 0.18 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.2 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.803 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 0.21 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 0.28 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.01 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 0.56 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 0.32 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 0.92 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -98.0 6.02 48.12 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.79 113.388 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.674 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 67.8 mm-40 -48.53 125.5 9.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.265 0.469 . . . . 1.07 112.265 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 O-C-N 124.77 1.294 . . . . 2.75 111.58 179.078 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SXH . . . . . 0.635 ' C28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 0.82 108.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 0.25 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 26' ' ' VAL . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 0.2 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 0.28 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.18 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 0.26 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 0.15 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.8 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 0.25 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 32' ' ' PHE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 0.2 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 23' ' ' VAL . 1.1 m-80 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 0.28 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 0.44 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.27 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.739 HG21 HD13 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 0.25 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.33 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.409 ' N ' HD21 ' A' ' 16' ' ' ASN . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 0.9 112.131 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 0.19 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.03 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.743 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.2 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 1.38 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.23 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.39 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 0.41 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.658 ' HB3' HD11 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 21' ' ' ILE . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 0.79 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' HD12 ' A' ' 41' ' ' LEU . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.468 ' H ' HG12 ' A' ' 38' ' ' VAL . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 0.75 112.505 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 39' ' ' ASP . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 0.86 108.482 -177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 0.71 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 0.42 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 0.49 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.8 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 0.3 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.571 HG22 HG21 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.49 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 0.84 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 0.25 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 0.21 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 1.72 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.34 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.16 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 1.48 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 0.52 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.41 109.034 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.601 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 0.73 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.87 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 0.89 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 2.81 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 0.34 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 0.18 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.2 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 0.21 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.631 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 0.28 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.01 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 0.56 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.642 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 0.32 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 0.92 109.126 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 . . . . . 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.79 112.681 -176.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 37.3 p . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 106.906 -1.516 . . . . 0.82 106.906 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 0.25 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 0.2 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 0.28 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 0.26 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 0.15 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 0.25 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 0.2 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 0.28 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 0.44 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 0.25 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.33 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 0.9 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 0.19 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.03 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.824 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.2 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 1.38 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.23 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' HG22 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.39 111.483 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 0.41 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 0.79 107.273 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 0.75 111.264 -174.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 0.86 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 0.71 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 47' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 0.42 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.517 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 0.49 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 0.3 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 63' ' ' VAL . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.49 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 0.84 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 0.25 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 0.21 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 1.72 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.34 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.16 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 1.48 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 0.52 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.41 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 47' ' ' VAL . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 0.73 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 0.87 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 0.89 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 2.81 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 0.34 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 0.18 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.2 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 0.21 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 0.28 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.01 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 0.56 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 0.32 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 0.92 109.733 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 . . . . . 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.79 112.289 -176.011 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 7' ' ' ILE . 72.7 p . . . . . 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 0.82 105.761 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.7 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 0.25 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 0.2 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 0.28 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.18 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 0.26 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 0.15 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 0.25 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 32' ' ' PHE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 0.2 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 0.28 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 0.44 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.27 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.631 ' HB ' HG12 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 0.25 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.33 113.396 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.9 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 HG22 ' A' ' 21' ' ' ILE . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 0.19 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.03 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.2 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 1.38 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.23 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.39 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.6 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 0.41 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 0.79 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 0.75 114.199 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 0.86 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 0.71 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 0.42 111.165 -175.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 0.49 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 0.3 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.49 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 0.84 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 0.25 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 0.21 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 1.72 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.34 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.16 110.317 -175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 1.48 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 0.52 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.41 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 0.73 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 0.87 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 0.89 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 2.81 115.811 -176.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 0.34 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.576 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 0.18 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.2 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 0.21 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.696 ' HA ' HG21 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 0.28 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.01 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 0.56 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD11 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 0.32 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 0.92 110.193 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 . . . . . 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.79 113.42 -176.66 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.8 p . . . . . 0 N--CA 1.437 -1.084 0 N-CA-C 108.033 -1.099 . . . . 0.82 108.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.8 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 0.25 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 0.2 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 0.28 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.18 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 0.26 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 0.15 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.813 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 0.25 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 0.2 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 0.28 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 0.44 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.27 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.789 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 0.25 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.33 112.296 -178.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.9 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 0.19 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.03 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.88 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.2 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 1.38 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.8 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.23 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.39 109.881 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.8 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 0.41 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.637 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 0.79 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 0.75 113.648 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 0.86 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 0.71 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 0.42 111.317 -171.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 0.49 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB2' HD13 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.813 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 0.3 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.49 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 0.84 112.11 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 0.25 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 0.21 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 1.72 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.34 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.16 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.682 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 1.48 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.689 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 0.52 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.41 109.996 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 0.73 112.944 -177.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 0.87 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 2.81 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 0.34 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.88 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 0.18 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.2 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.847 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 0.21 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG21 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 0.28 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.01 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 0.56 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.567 ' HA ' HG11 ' A' ' 56' ' ' VAL . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 0.32 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 0.92 108.798 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 . . . . . 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.79 113.815 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 0.82 106.051 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.74 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 0.25 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 0.2 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 0.28 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.18 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 0.26 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 0.15 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 0.25 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.733 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 0.2 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.568 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 0.28 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.27 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 0.25 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.33 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 0.9 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 0.19 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.03 105.785 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.747 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.2 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 1.38 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.23 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.39 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 0.41 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 0.79 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 0.75 111.473 -170.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 39' ' ' ASP . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 0.86 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 0.71 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 0.42 110.301 -173.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 0.49 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.529 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.851 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.49 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.562 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 0.84 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 0.25 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.684 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 1.72 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.34 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.618 HG11 HG23 ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.16 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 1.48 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.684 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 0.52 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.41 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 0.73 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 0.87 111.373 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 0.89 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 68' ' ' THR . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 2.81 115.259 176.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 0.34 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 0.18 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.571 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.2 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.509 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 0.21 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.657 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 0.28 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.01 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 0.56 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 56' ' ' VAL . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 0.32 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HB2' ' CD1' ' A' ' 7' ' ' ILE . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 0.92 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.79 113.828 -179.415 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 7' ' ' ILE . 30.9 p . . . . . 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 0.82 107.817 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 0.25 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 0.2 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 0.28 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.18 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 0.26 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 0.15 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 0.25 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.63 HG21 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 0.2 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 0.28 111.704 -172.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 0.44 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.27 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 0.25 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.33 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 0.9 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 0.19 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.03 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.784 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.2 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.632 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 1.38 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.43 ' CA ' HG22 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.23 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.63 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.39 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 0.41 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 0.79 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.549 ' HB3' ' CG2' ' A' ' 33' ' ' THR . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 0.75 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 0.86 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 0.71 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 0.42 110.253 -173.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 0.49 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.786 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 0.3 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.49 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 0.84 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 0.25 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 0.21 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.687 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 1.72 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.34 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.16 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 1.48 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.687 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 0.52 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.41 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 0.73 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.592 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 0.87 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 0.89 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 2.81 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 0.34 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 0.18 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.2 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.558 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 0.21 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 0.28 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.01 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 0.56 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 0.32 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 73' ' ' THR . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 0.92 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.79 112.704 -177.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 N--CA 1.433 -1.322 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 0.25 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 0.2 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 0.28 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.18 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 0.26 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 0.15 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 0.25 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.668 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 0.2 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 0.28 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 0.44 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.27 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 0.25 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.33 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 0.9 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 0.19 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.03 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.2 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 1.38 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.639 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.23 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.668 ' HE1' HG21 ' A' ' 15' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.39 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 0.41 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 0.79 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 0.75 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 0.86 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' HG21 ' A' ' 18' ' ' ILE . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 0.71 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 0.42 110.616 -172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 0.49 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.759 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 0.3 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.49 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.408 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 0.84 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 0.25 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.21 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 1.72 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.34 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.567 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.16 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 1.48 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.598 HD11 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 0.52 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 62' ' ' ASP . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.41 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 0.73 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 0.87 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 2.81 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 0.34 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.18 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.564 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.2 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.794 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 0.21 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 0.28 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.01 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 0.56 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG1' HD11 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 0.32 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 0.92 110.485 -174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 . . . . . 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.79 113.701 -175.676 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.433 -1.3 0 N-CA-C 108.521 -0.918 . . . . 0.82 108.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 0.25 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 0.2 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 0.28 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.18 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 0.26 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 0.15 112.585 -178.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.715 HG21 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 0.25 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 0.2 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.3 m-80 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 0.28 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 0.44 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.27 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 0.25 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.508 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.33 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.572 ' N ' HD21 ' A' ' 16' ' ' ASN . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 0.9 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 0.19 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.03 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.2 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 1.38 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.921 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.23 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.669 ' CE2' HG22 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.39 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.921 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.549 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 0.41 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' H ' ' A' ' 40' ' ' SER . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 0.79 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 38' ' ' VAL . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' HG13 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 0.75 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 0.86 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 0.71 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 0.42 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 0.49 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' HD13 ' A' ' 18' ' ' ILE . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HA ' HG21 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 0.3 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.809 HG22 HG21 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.49 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 0.84 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 0.21 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 1.72 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.34 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.16 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 1.48 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 0.52 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.41 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.809 HG21 HG22 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 0.73 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 0.87 112.863 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.737 HD11 HG21 ' A' ' 58' ' ' ILE . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 0.89 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 2.81 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 0.34 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.718 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 0.18 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.2 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 0.21 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 0.28 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.01 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.548 ' CE2' HG23 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 0.56 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.563 ' HA ' HG11 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 0.32 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 0.92 109.376 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.79 113.081 -176.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 N--CA 1.435 -1.191 0 N-CA-C 108.941 -0.763 . . . . 0.82 108.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.632 HG21 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 0.25 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 0.2 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 0.28 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.18 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 0.26 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 0.15 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.87 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 0.25 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 0.2 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 0.28 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 0.44 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.27 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 0.25 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.33 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 0.9 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 0.19 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.03 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.2 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 1.38 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.23 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.39 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 0.41 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 0.79 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 19' ' ' ALA . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.481 ' H ' HG13 ' A' ' 38' ' ' VAL . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 0.75 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 0.86 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 0.71 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 40' ' ' SER . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 0.42 111.098 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 0.49 110.977 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.87 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 0.3 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.636 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.49 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.498 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 0.84 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 0.25 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 0.21 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.691 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 1.72 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.34 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.613 HG11 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.16 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 0.52 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.41 109.743 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.556 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.542 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.556 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 0.73 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 0.87 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 0.89 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 2.81 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 0.34 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 0.18 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.2 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.868 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 0.21 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.632 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 0.28 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.01 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 0.56 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.613 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 0.32 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 0.92 108.967 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 . . . . . 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.79 112.902 -178.517 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.4 p . . . . . 0 N--CA 1.437 -1.116 0 N-CA-C 107.876 -1.157 . . . . 0.82 107.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 0.25 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.457 HG13 HG12 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 0.2 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 0.28 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.18 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 0.26 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 0.15 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.755 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 0.25 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 0.2 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.421 HD21 ' N ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.527 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 0.28 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 0.44 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.27 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 0.25 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.33 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 0.9 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 0.19 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.03 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.806 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.2 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 1.38 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.23 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.852 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.39 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 0.41 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 0.79 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.699 ' HB3' HG21 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 0.75 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 0.86 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 0.71 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.649 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 0.42 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 48' ' ' VAL . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 0.49 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.755 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 0.3 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.685 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.49 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 0.84 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 0.25 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 0.21 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 1.72 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.34 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.16 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 1.48 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.668 HD11 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 0.52 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.41 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' A' ' 60' ' ' ASP . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 0.73 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 0.87 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 0.89 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.487 ' O ' HG23 ' A' ' 68' ' ' THR . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 2.81 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 0.34 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.852 HG22 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 0.18 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.658 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.2 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 0.21 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 0.28 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.01 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 0.56 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 0.32 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 0.92 112.237 -173.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 . . . . . 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.79 112.074 -177.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 0.82 107.629 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 0.25 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 0.2 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 0.28 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.18 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 0.26 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 0.15 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.748 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 0.25 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 0.2 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 0.28 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 0.44 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.27 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.641 HD11 ' HB3' ' A' ' 37' ' ' ASP . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 0.25 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.33 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 0.9 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 0.19 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.03 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.781 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.2 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.23 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.39 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.606 HD13 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 0.41 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.641 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 40' ' ' SER . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 0.79 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 0.75 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 0.86 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 0.71 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 0.42 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 0.49 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' VAL . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.748 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 0.3 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.661 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.49 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 0.84 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 0.25 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 0.21 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 1.72 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.34 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.16 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 1.48 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 0.52 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' VAL . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.41 108.518 174.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 60' ' ' ASP . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 0.73 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 0.87 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.89 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 2.81 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 0.34 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 0.18 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.2 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.553 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 0.21 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 0.28 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.01 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 0.56 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 0.32 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 0.92 108.483 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 . . . . . 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.79 111.77 177.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 0.82 108.758 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 0.25 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 0.2 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 0.28 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.18 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 0.26 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 0.15 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 0.25 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.683 HG21 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 0.2 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.545 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 0.28 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 0.44 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.27 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 0.25 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.33 111.921 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 0.9 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 0.19 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.03 106.107 173.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.765 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.2 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.23 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.39 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.674 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 0.41 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 0.79 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 0.75 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 0.86 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 0.71 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.456 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 0.49 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.771 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 0.3 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.49 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 0.84 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 0.25 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 0.21 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.68 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 1.72 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.34 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.16 112.512 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 1.48 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.577 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 0.52 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.41 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 0.73 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 0.87 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 0.89 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 2.81 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 0.34 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.765 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 0.18 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.2 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.856 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 0.21 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.616 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 0.28 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.01 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 0.56 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 0.32 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 0.92 109.373 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.79 113.757 -179.86 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.404 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.1 p . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 0.82 107.976 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 0.25 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 0.2 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.28 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.18 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 0.26 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 0.15 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.823 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 0.25 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.688 HG21 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 0.2 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.517 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 0.28 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.44 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.27 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.33 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.666 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.9 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 0.19 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.03 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.2 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 1.38 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.731 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.23 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE1' HG21 ' A' ' 15' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.39 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 31' ' ' SER . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 0.41 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 40' ' ' SER . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 0.79 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.516 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 0.75 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 0.86 107.128 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.557 ' HA ' HG21 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 0.71 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.521 ' O ' HG23 ' A' ' 47' ' ' VAL . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 0.42 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 0.49 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.823 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 0.3 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.49 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 0.84 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 0.25 108.43 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 0.21 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.675 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 1.72 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.34 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.16 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 1.48 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.675 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 0.52 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.41 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.64 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 0.73 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.64 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 0.87 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 0.89 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 2.81 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.731 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 0.34 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 0.18 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.2 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 0.21 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.559 ' HA ' HG21 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 0.28 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.01 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 0.56 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 0.32 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 0.92 110.653 -176.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 . . . . . 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.79 112.973 -177.609 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 p . . . . . 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 0.82 108.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 0.25 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 0.2 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 0.28 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.18 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 15' ' ' VAL . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.26 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 0.15 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.831 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 0.25 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 0.2 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.634 HD21 ' N ' ' A' ' 23' ' ' VAL . 8.7 m-80 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 45' ' ' GLU . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 0.28 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 0.44 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.27 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.673 HG21 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 0.25 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.514 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.33 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.639 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 0.9 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 0.19 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.03 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.2 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 1.38 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.718 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.23 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.39 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HG21 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 0.41 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 0.79 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 0.75 115.358 -177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 0.86 108.308 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 0.71 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 0.42 111.273 -172.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 0.49 109.176 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.831 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 0.3 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.49 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.556 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 0.84 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 0.25 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 0.21 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 1.72 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.34 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.16 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 0.52 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.41 110.097 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 0.73 112.432 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 0.87 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.815 HD13 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 0.89 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 2.81 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 0.34 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 0.18 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.2 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.815 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 0.21 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 0.28 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.01 106.651 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 0.56 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.617 ' HA ' HG11 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 0.32 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 0.92 108.409 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.79 112.797 -177.78 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 47.4 p . . . . . 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 0.82 107.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 0.25 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 0.2 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 0.28 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.18 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 0.26 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 0.15 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 0.25 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 0.2 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.642 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 0.28 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 0.44 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.27 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 0.25 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.33 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 0.9 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 HG13 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 0.19 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.03 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.2 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.649 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 1.38 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.825 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.23 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.39 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.649 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 0.41 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 0.79 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.453 ' H ' HG13 ' A' ' 38' ' ' VAL . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 0.75 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 0.86 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.642 ' HA ' HG21 ' A' ' 18' ' ' ILE . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 0.71 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 0.42 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 0.49 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 0.3 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.49 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 0.84 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 0.25 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 0.21 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 1.72 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.34 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG11 ' HA ' ' A' ' 76' ' ' ILE . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.16 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.724 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 1.48 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 0.52 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.41 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.578 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 0.73 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 0.87 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 0.89 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 2.81 115.273 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 0.34 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 0.18 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.2 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.869 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 0.21 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.575 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 0.28 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.01 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 0.56 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 72' ' ' ALA . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 0.32 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 0.92 110.485 -175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 . . . . . 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.79 112.348 -176.812 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.404 ' N ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p . . . . . 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 0.82 108.698 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' HB ' ' A' ' 76' ' ' ILE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 0.25 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 0.2 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 0.28 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.18 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 0.26 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 0.15 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.812 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 0.25 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 0.2 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.518 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 0.28 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 0.44 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.27 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 0.25 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.33 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 0.9 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 0.19 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.604 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.03 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.872 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.2 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.607 ' HG3' ' OD1' ' A' ' 35' ' ' ASP . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 1.38 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.23 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.825 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.39 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.607 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD13 HG21 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 0.41 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 0.79 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 0.75 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 0.86 107.036 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 0.71 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 0.42 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.491 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 0.49 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.812 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.49 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 0.84 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 0.25 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 0.21 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 1.72 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.34 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 76' ' ' ILE . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.16 111.729 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 1.48 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 0.52 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.41 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HA ' HG12 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 0.73 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 0.87 110.14 177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.872 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 0.89 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 2.81 116.536 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 0.34 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.872 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 0.18 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.2 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.581 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.872 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 0.21 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.551 ' HA ' HG21 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 0.28 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.01 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 0.56 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.615 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 0.32 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.92 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 . . . . . 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.79 113.591 -175.17 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.7 p . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 0.82 107.568 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 HG12 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 0.2 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 0.28 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.18 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 0.26 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 0.15 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 0.25 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.714 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 0.2 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 0.28 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 0.44 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.27 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 0.25 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.33 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 0.9 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 0.19 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.03 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.702 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.2 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 1.38 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.777 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.23 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.714 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.39 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 0.41 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 0.79 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 0.75 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 0.86 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 0.71 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.708 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 0.42 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 0.49 108.705 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.467 ' HB2' HD13 ' A' ' 18' ' ' ILE . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.3 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.701 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.49 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 0.84 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.497 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 0.25 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 0.21 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 1.72 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.34 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.16 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 1.48 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.594 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 0.52 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.41 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 0.73 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 0.87 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 2.81 116.42 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.777 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 0.34 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.702 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 0.18 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.2 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.494 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.866 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 0.21 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 0.28 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.01 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 0.56 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.525 HG12 HD11 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 0.32 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 0.92 109.281 -177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.79 114.325 -176.769 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.4 ' N ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p . . . . . 0 N--CA 1.412 -2.362 0 N-CA-C 107.697 -1.223 . . . . 0.82 107.697 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HB2' ' N ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 0.25 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 0.2 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 0.28 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.18 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 0.26 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 0.15 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 0.25 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 0.2 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 0.28 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 0.44 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.27 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 0.25 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.557 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.33 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 0.9 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG13 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 0.19 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.03 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.2 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 1.38 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 1.016 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.23 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HE1' HG21 ' A' ' 15' ' ' VAL . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.39 112.611 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 1.016 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 0.41 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 0.79 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 0.75 113.451 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 0.86 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.626 ' HA ' HG21 ' A' ' 18' ' ' ILE . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 0.71 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.529 ' O ' HG23 ' A' ' 47' ' ' VAL . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 0.42 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 0.49 108.69 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.77 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 0.3 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.49 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 0.84 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 0.25 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 0.21 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 1.72 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG11 HG23 ' A' ' 76' ' ' ILE . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.16 110.782 -169.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.596 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 1.48 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 0.52 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.41 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.972 HG23 HD12 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 0.73 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 0.87 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG23 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 0.89 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 2.81 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 0.34 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.63 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 0.18 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.2 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' O ' HD22 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 0.21 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.509 ' HA ' HG21 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 0.28 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.01 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 0.56 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 0.32 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 0.92 109.708 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.414 ' HB3' HG23 ' A' ' 56' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.79 112.08 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 0.82 108.049 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 0.25 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 HG12 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.2 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 0.28 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.18 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 0.26 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 0.15 110.34 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.895 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 0.25 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 0.2 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 0.28 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 0.44 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.27 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 0.25 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.33 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 0.9 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG12 HG13 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 0.19 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.03 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.865 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.2 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 1.38 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.775 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.23 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.39 112.192 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.775 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 0.41 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 21' ' ' ILE . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 0.79 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.438 ' H ' HG13 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 0.75 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 0.86 109.007 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 0.71 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.431 ' HE2' HG21 ' A' ' 38' ' ' VAL . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 0.42 110.993 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 0.49 109.45 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.895 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 0.3 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.49 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 0.84 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 0.25 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 0.21 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 1.72 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.34 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.16 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 1.48 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.652 HG21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 0.52 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.41 109.712 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HA ' HG21 ' A' ' 47' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.503 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 0.73 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 0.87 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 0.89 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 2.81 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 0.34 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.865 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 0.18 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.2 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 0.21 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 0.28 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.01 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 0.56 110.74 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 0.32 112.293 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 0.92 110.485 -175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 . . . . . 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.79 112.901 -176.471 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.9 p . . . . . 0 CA--C 1.496 -1.131 0 N-CA-C 105.657 -1.979 . . . . 0.82 105.657 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.52 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 0.25 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.481 HG13 HG12 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 0.2 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 0.28 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.18 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 0.26 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 0.15 112.376 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 0.25 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.651 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 0.2 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 0.28 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 0.44 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.27 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 0.25 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.33 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.429 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 0.9 111.163 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 HG12 HG13 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 0.19 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.03 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.2 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 1.38 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.23 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.661 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.39 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.488 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 0.41 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 0.79 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 0.75 116.404 -172.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 0.86 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.598 ' HA ' HG21 ' A' ' 18' ' ' ILE . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 0.71 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.606 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 0.42 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 41' ' ' LEU . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 0.49 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 0.3 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.63 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.49 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 0.84 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 0.25 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 0.21 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 1.72 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.34 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.16 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 1.48 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 0.52 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.41 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 0.73 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 0.89 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 2.81 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 0.34 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.691 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 0.18 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.2 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.803 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 0.21 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 0.28 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.01 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 0.56 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 0.32 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 3' ' ' THR . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 0.92 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 . . . . . 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.79 113.388 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.43 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 -178.92 6.67 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.654 -0.703 . . . . 0.87 109.748 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.766 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 33.7 p -128.9 -168.0 1.86 Allowed 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 108.04 -1.096 . . . . 0.82 108.04 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.416 ' NE2' HG21 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -58.87 -56.42 22.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.442 0.564 . . . . 1.24 110.683 -177.058 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -73.75 -25.01 59.96 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 112.175 0.435 . . . . 2.43 112.175 -176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.766 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -71.81 -43.53 65.48 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.498 . . . . 2.07 111.004 178.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.68 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 99.0 mt -62.06 -49.01 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.178 -0.675 . . . . 0.25 109.178 173.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 HG13 HG12 ' A' ' 26' ' ' VAL . 58.5 t -54.01 -58.36 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 124.119 0.887 . . . . 0.2 111.216 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.22 -31.82 70.53 Favored 'General case' 0 C--O 1.222 -0.372 0 O-C-N 123.057 0.223 . . . . 0.28 111.593 -178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.36 -46.85 46.8 Favored Glycine 0 N--CA 1.429 -1.815 0 N-CA-C 110.79 -0.924 . . . . 0.18 110.79 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -64.06 -46.89 82.34 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.677 -0.861 . . . . 0.26 108.677 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.39 75.64 Favored 'General case' 0 C--O 1.204 -1.295 0 CA-C-N 115.057 -0.974 . . . . 0.15 112.648 -177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -59.52 -37.86 79.45 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 118.185 0.448 . . . . 0.76 111.697 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.8 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.5 mt -67.35 -48.22 78.49 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 N-CA-C 108.518 -0.919 . . . . 0.25 108.518 177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 HG21 ' CE1' ' A' ' 32' ' ' PHE . 79.4 t -53.4 -47.3 58.6 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.118 0 C-N-CA 124.118 0.967 . . . . 0.2 110.417 174.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 23' ' ' VAL . 1.1 m-80 -53.29 -40.98 65.14 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 123.123 0.569 . . . . 0.85 109.923 178.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -71.51 -49.51 40.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.205 -0.907 . . . . 2.35 112.572 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -94.41 -56.42 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 118.302 -1.359 . . . . 0.28 111.548 -174.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.445 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -79.4 -39.28 32.85 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-O 121.192 0.52 . . . . 0.44 111.512 -174.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 101.63 8.74 45.35 Favored Glycine 0 N--CA 1.409 -3.156 0 CA-C-O 118.987 -0.896 . . . . 0.27 113.304 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.739 HG21 HD13 ' A' ' 36' ' ' LEU . 32.0 mm -80.64 120.78 80.15 Favored Pre-proline 0 N--CA 1.438 -1.074 0 CA-C-N 119.297 1.548 . . . . 0.25 109.085 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 17.4 Cg_exo -65.33 160.85 40.43 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.133 2.555 . . . . 0.33 112.766 -177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.409 ' N ' HD21 ' A' ' 16' ' ' ASN . 30.0 m -68.11 -23.93 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.314 0.578 . . . . 0.9 112.131 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -75.19 -30.88 60.79 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.866 -0.606 . . . . 2.99 110.394 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -80.1 -43.78 21.15 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.38 -0.6 . . . . 0.71 109.38 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG22 HD13 ' A' ' 36' ' ' LEU . 98.7 t -64.1 96.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.45 0 CA-C-O 121.11 0.481 . . . . 0.19 111.515 175.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.526 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 44.2 mmtm -123.53 167.16 14.26 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.177 -1.046 . . . . 2.03 108.177 170.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.743 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.3 pp -68.07 -18.38 64.65 Favored 'General case' 0 C--N 1.306 -1.318 0 N-CA-C 112.967 0.729 . . . . 1.2 112.967 -166.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -89.23 4.8 47.48 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 124.059 0.944 . . . . 2.12 108.964 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.6 mptp? -106.23 117.73 34.79 Favored 'General case' 0 N--CA 1.394 -3.262 0 CA-C-O 121.925 0.869 . . . . 1.38 110.788 -170.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 22.7 t -74.39 107.73 6.73 Favored 'General case' 0 C--N 1.255 -3.54 0 N-CA-C 106.304 -1.739 . . . . 1.23 106.304 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.691 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.2 m-85 -41.34 -52.43 3.5 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 114.194 1.183 . . . . 0.28 114.194 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.9 t -96.08 25.41 4.84 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 121.392 0.615 . . . . 1.39 112.047 -174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 18.9 t70 -147.08 -47.13 0.18 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 121.556 -0.715 . . . . 0.59 111.333 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.506 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 10.8 t70 -85.29 -53.73 5.05 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 121.863 0.84 . . . . 1.31 108.781 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD13 HG21 ' A' ' 21' ' ' ILE . 62.6 mt -69.6 -80.85 0.05 OUTLIER 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 113.358 -1.746 . . . . 0.41 110.676 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.658 ' HB3' HD11 ' A' ' 21' ' ' ILE . 14.9 t70 163.87 -25.2 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 O-C-N 124.373 1.045 . . . . 1.24 110.281 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG23 HG13 ' A' ' 21' ' ' ILE . 54.1 t -29.82 121.49 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 C-N-CA 125.718 1.607 . . . . 0.79 112.539 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' HB2' HD12 ' A' ' 41' ' ' LEU . 36.9 p30 -71.35 -1.95 14.7 Favored 'General case' 0 C--O 1.207 -1.172 0 C-N-CA 124.795 1.238 . . . . 2.28 113.315 -170.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.468 ' H ' HG12 ' A' ' 38' ' ' VAL . 82.8 p 75.58 -12.92 0.92 Allowed 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 127.082 2.153 . . . . 0.75 112.505 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 39' ' ' ASP . 1.1 mt -87.52 -31.63 19.83 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 108.482 -0.932 . . . . 0.86 108.482 -177.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.2 p -67.36 -29.24 68.72 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 114.24 -1.346 . . . . 0.71 108.544 173.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.537 ' O ' HG23 ' A' ' 47' ' ' VAL . 47.4 tpp -61.99 -32.41 72.88 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-N 115.091 -0.959 . . . . 0.42 110.213 -175.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 46.8 t -59.04 -44.25 90.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.489 0.662 . . . . 0.49 109.47 179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 11.3 mm-40 -81.36 -23.09 37.94 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 115.671 -0.695 . . . . 1.85 110.059 -179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.8 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.8 t -69.58 -33.31 56.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 107.637 -1.245 . . . . 0.3 107.637 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.571 HG22 HG21 ' A' ' 63' ' ' VAL . 28.9 t -60.04 -64.14 0.64 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.056 0 C-N-CA 124.648 1.179 . . . . 1.49 110.285 177.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -60.46 -24.51 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.26 0.552 . . . . 0.84 111.681 -176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.85 -43.02 26.03 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-O 121.425 0.631 . . . . 0.25 109.951 177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -70.32 -39.95 74.45 Favored 'General case' 0 C--O 1.217 -0.618 0 C-N-CA 123.116 0.566 . . . . 0.21 110.908 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.8 mt-10 -63.21 -35.34 79.98 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-O 121.001 0.429 . . . . 0.73 110.018 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -77.88 -32.63 52.0 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.125 -0.943 . . . . 2.46 110.284 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.566 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 12.8 ptp180 -88.32 -31.82 18.75 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.464 0.542 . . . . 1.72 112.464 -178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.68 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 33.6 m-85 -95.79 -21.55 18.06 Favored 'General case' 0 N--CA 1.438 -1.057 0 N-CA-C 112.356 0.502 . . . . 0.34 112.356 -177.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.1 t70 63.14 11.42 5.25 Favored 'General case' 0 N--CA 1.5 2.037 0 CA-C-O 123.002 1.382 . . . . 1.56 110.468 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 76' ' ' ILE . 49.9 t -80.27 -40.0 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.072 0 CA-C-N 114.574 -1.194 . . . . 1.16 110.094 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 18.4 tptm 68.03 95.81 0.06 Allowed 'General case' 0 CA--C 1.546 0.805 0 O-C-N 125.072 1.482 . . . . 1.48 111.052 178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -124.0 99.38 37.98 Favored Pre-proline 0 CA--C 1.473 -2.0 0 N-CA-C 105.648 -1.982 . . . . 0.52 105.648 176.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.6 150.17 83.27 Favored 'Trans proline' 0 C--N 1.311 -1.442 0 C-N-CA 121.92 1.746 . . . . 0.41 109.034 177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.601 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.2 p-10 -53.38 -23.02 8.51 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.617 0.722 . . . . 0.95 110.648 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.8 t70 -64.27 -43.18 95.61 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-N 115.402 -0.817 . . . . 1.16 110.789 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -86.59 -24.82 25.25 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 107.117 -1.438 . . . . 1.58 107.117 -174.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 3.9 t -56.0 -22.96 14.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 113.199 -1.819 . . . . 0.73 111.065 172.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.624 ' HB3' H37A ' A' ' 101' ' ' SXH . 9.6 ptpp? -69.03 -24.77 64.23 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.671 0.748 . . . . 0.87 110.804 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -88.8 -2.84 58.8 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.404 -1.271 . . . . 1.09 107.908 -176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.8 mt -119.96 36.34 4.56 Favored 'General case' 0 C--O 1.193 -1.891 0 CA-C-N 115.107 -0.951 . . . . 0.89 109.362 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.7 9.97 0.0 OUTLIER 'General case' 0 CA--C 1.572 1.826 0 N-CA-C 117.8 2.519 . . . . 2.81 117.8 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 3.5 p -144.64 156.43 44.11 Favored 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 123.633 0.773 . . . . 0.34 109.866 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.743 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 35.1 t -55.54 -47.18 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 O-C-N 123.525 0.516 . . . . 0.18 110.12 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.499 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.82 -25.48 75.19 Favored Glycine 0 CA--C 1.486 -1.757 0 CA-C-N 115.414 -0.812 . . . . 0.2 113.163 -177.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.5 t0 -74.6 -45.2 46.71 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 106.84 -1.541 . . . . 0.62 106.84 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.76 -53.45 58.06 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 114.232 -1.349 . . . . 0.21 108.769 176.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.631 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.4 m -53.99 -39.33 65.95 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 123.985 0.914 . . . . 0.28 111.214 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 2.0 tmmm? -60.85 -49.2 78.43 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 123.62 0.768 . . . . 2.01 109.042 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -68.72 -49.38 59.35 Favored 'General case' 0 N--CA 1.426 -1.657 0 CA-C-N 114.695 -1.139 . . . . 0.56 109.944 -178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.642 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.3 mt -64.26 -36.74 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.514 0 CA-C-N 115.293 -0.867 . . . . 0.32 111.629 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.626 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.0 tt -73.84 -44.36 55.86 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.126 -0.694 . . . . 0.92 109.126 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -63.32 -32.01 73.31 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.502 0.667 . . . . 0.68 111.049 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -100.57 6.34 44.17 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 115.394 -0.821 . . . . 0.79 112.681 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.626 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.7 mm-40 -52.06 152.21 3.3 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 114.064 1.135 . . . . 1.07 114.064 -178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.512 0 N-CA-C 107.722 -1.214 . . . . 2.75 107.722 174.255 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.688 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 CA-C-O 120.867 0.365 . . . . 1.43 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -173.46 174.03 3.34 Favored 'General case' 0 CA--C 1.496 -1.131 0 N-CA-C 106.758 -1.571 . . . . 0.87 106.758 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.749 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 37.3 p -131.32 -172.96 2.98 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 106.906 -1.516 . . . . 0.82 106.906 -178.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.94 -55.42 35.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 119.252 0.933 . . . . 1.24 111.401 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -74.79 -24.0 58.59 Favored 'General case' 0 C--N 1.309 -1.168 0 C-N-CA 120.501 -0.48 . . . . 2.43 111.944 -176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.749 ' HB2' ' H ' ' A' ' 3' ' ' THR . 45.3 mt-10 -73.11 -42.92 62.4 Favored 'General case' 0 CA--C 1.514 -0.436 0 O-C-N 123.231 0.332 . . . . 2.07 111.075 177.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 73' ' ' THR . 95.7 mt -59.0 -53.96 40.69 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.849 0 N-CA-C 108.862 -0.792 . . . . 0.25 108.862 174.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 HG13 HG12 ' A' ' 26' ' ' VAL . 62.6 t -53.34 -55.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.498 1.124 . . . . 0.2 111.407 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.68 -29.39 69.94 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.619 0.247 . . . . 0.28 111.566 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.59 47.7 Favored Glycine 0 CA--C 1.486 -1.727 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.6 mt -62.44 -47.16 85.3 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 108.225 -1.028 . . . . 0.26 108.225 175.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.67 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.92 -50.9 65.39 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 114.848 -1.069 . . . . 0.15 112.849 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.0 pt-20 -59.47 -34.41 72.51 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.245 0.341 . . . . 0.76 111.716 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.8 mt -71.48 -46.44 63.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.083 -0.71 . . . . 0.25 109.083 177.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 11' ' ' LEU . 60.8 t -55.39 -38.74 49.71 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.223 0 C-N-CA 123.74 0.816 . . . . 0.2 109.725 173.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -54.39 -50.94 66.37 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 123.013 0.525 . . . . 0.85 109.831 173.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.5 mt-10 -65.43 -46.23 80.74 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.545 -1.207 . . . . 2.35 113.268 -175.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.607 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.5 mt -97.4 -55.44 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 118.504 -1.278 . . . . 0.28 111.407 -175.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.96 -54.1 7.38 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.392 0.516 . . . . 0.44 112.392 -176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.54 22.59 5.39 Favored Glycine 0 N--CA 1.431 -1.675 0 C-N-CA 121.116 -0.564 . . . . 0.27 112.533 -177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD13 ' A' ' 36' ' ' LEU . 43.0 mm -96.17 117.68 66.08 Favored Pre-proline 0 CA--C 1.504 -0.802 0 N-CA-C 108.52 -0.919 . . . . 0.25 108.52 175.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -58.18 159.39 18.96 Favored 'Trans proline' 0 C--O 1.246 0.896 0 C-N-CA 123.626 2.884 . . . . 0.33 113.396 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.9 m -70.44 -15.83 19.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.687 -0.688 . . . . 0.9 112.147 -176.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 43.9 mt-10 -98.43 -6.02 31.36 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-O 121.061 0.457 . . . . 2.99 110.247 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -93.99 -41.14 9.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.761 -1.2 . . . . 0.71 107.761 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' 12' ' ' ALA . 77.1 t -62.68 94.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 123.475 0.71 . . . . 0.19 110.526 173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 34.9 mmtp -115.91 159.95 20.87 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 106.76 -1.57 . . . . 2.03 106.76 173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.824 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pp -72.2 -11.28 60.66 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 122.32 1.057 . . . . 1.2 111.257 -171.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -84.92 -8.21 58.85 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 126.189 1.795 . . . . 2.12 108.941 -178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HG2' ' HB2' ' A' ' 27' ' ' LYS . 67.8 mmtt -102.9 121.27 42.17 Favored 'General case' 0 N--CA 1.397 -3.112 0 CA-C-O 122.106 0.955 . . . . 1.38 111.688 -170.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.681 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 11.8 m -73.81 102.6 4.08 Favored 'General case' 0 C--N 1.257 -3.448 0 N-CA-C 106.38 -1.711 . . . . 1.23 106.38 169.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.782 ' CE2' HG22 ' A' ' 69' ' ' VAL . 50.5 m-85 -38.11 -62.48 0.56 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 113.435 0.902 . . . . 0.28 113.435 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.496 HG22 ' S1 ' ' A' ' 101' ' ' SXH . 10.1 t -84.55 63.59 7.97 Favored 'General case' 0 CA--C 1.562 1.435 0 CA-C-O 121.755 0.788 . . . . 1.39 111.483 178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.681 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 13.4 t70 176.52 -63.07 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 122.128 0.966 . . . . 0.59 109.498 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.83 -37.26 24.67 Favored 'General case' 0 CA--C 1.481 -1.712 0 CA-C-N 113.98 -1.464 . . . . 1.31 110.879 -174.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD13 HG21 ' A' ' 21' ' ' ILE . 78.1 mt -93.27 -90.64 0.19 Allowed 'General case' 0 N--CA 1.418 -2.066 0 CA-C-N 115.267 -0.879 . . . . 0.41 109.786 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.578 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.5 t70 151.3 62.61 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.03 1.732 . . . . 1.24 108.259 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG21 ' HE2' ' A' ' 43' ' ' MET . 6.3 p -92.45 151.59 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.951 0 N-CA-C 107.273 -1.38 . . . . 0.79 107.273 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.5 m-20 -80.85 -8.76 59.8 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.693 -0.855 . . . . 2.28 108.693 -177.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.47 ' O ' H28A ' A' ' 101' ' ' SXH . 11.4 p 74.16 -25.82 0.19 Allowed 'General case' 0 C--O 1.198 -1.657 0 C-N-CA 127.641 2.376 . . . . 0.75 111.264 -174.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' H ' ' C ' ' A' ' 39' ' ' ASP . 5.8 mt -86.33 -22.1 26.9 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 124.729 1.212 . . . . 0.86 108.867 -173.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -74.04 -24.65 59.57 Favored 'General case' 0 N--CA 1.391 -3.394 0 CA-C-N 114.352 -1.295 . . . . 0.71 107.668 174.272 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE2' HG21 ' A' ' 38' ' ' VAL . 39.9 tpp -65.17 -34.51 78.55 Favored 'General case' 0 C--O 1.192 -1.941 0 CA-C-N 115.45 -0.795 . . . . 0.42 111.105 -174.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.517 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 88.9 t -57.83 -45.45 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 CA-C-O 121.303 0.573 . . . . 0.49 109.82 176.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.607 ' HB2' HD13 ' A' ' 18' ' ' ILE . 47.1 mt-10 -72.86 -31.47 64.75 Favored 'General case' 0 N--CA 1.426 -1.632 0 CA-C-N 115.936 -0.575 . . . . 1.85 110.243 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.6 t -63.38 -37.41 79.44 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.48 0 N-CA-C 108.656 -0.868 . . . . 0.3 108.656 175.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 63' ' ' VAL . 25.1 t -61.12 -63.36 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.154 0 C-N-CA 124.921 1.288 . . . . 1.49 110.161 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 77.6 t -56.63 -31.56 34.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 O-C-N 123.636 0.585 . . . . 0.84 111.273 -177.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.456 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -75.68 -42.11 51.97 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 116.033 -0.531 . . . . 0.25 109.893 178.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.522 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -68.98 -37.8 78.96 Favored 'General case' 0 C--O 1.214 -0.781 0 C-N-CA 123.439 0.696 . . . . 0.21 111.637 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 46.5 mt-10 -63.86 -37.33 87.0 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 109.429 -0.582 . . . . 0.73 109.429 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 48' ' ' VAL . 73.6 mm-40 -66.38 -39.5 89.13 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.121 -0.945 . . . . 2.46 111.484 -178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.522 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -88.78 -28.16 20.65 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.016 -0.993 . . . . 1.72 113.271 -174.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 23.9 m-85 -98.93 -24.13 15.06 Favored 'General case' 0 CA--C 1.499 -1.01 0 N-CA-C 111.781 0.289 . . . . 0.34 111.781 -175.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 62.59 16.49 8.85 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 124.223 0.952 . . . . 1.56 111.55 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 3.4 p -90.41 -45.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.669 -0.696 . . . . 1.16 110.002 -177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.541 ' HG2' ' OE2' ' A' ' 51' ' ' GLU 0.319 39.3 mttm 73.59 109.88 0.07 Allowed 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 115.616 1.71 . . . . 1.48 115.616 -174.537 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -130.17 103.66 16.79 Favored Pre-proline 0 CA--C 1.465 -2.322 0 N-CA-C 103.139 -2.912 . . . . 0.52 103.139 173.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.31 151.44 84.86 Favored 'Trans proline' 0 C--N 1.307 -1.644 0 N-CA-C 108.047 -1.559 . . . . 0.41 108.047 175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.542 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 9.1 p-10 -56.08 -22.06 25.69 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.507 0.67 . . . . 0.95 110.405 176.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.0 t70 -70.79 -28.01 64.33 Favored 'General case' 0 C--O 1.201 -1.45 0 C-N-CA 123.424 0.69 . . . . 1.16 111.814 175.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -87.45 -33.76 18.93 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 106.859 -1.534 . . . . 1.58 106.859 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 8.3 t -49.64 -22.84 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 112.794 -2.003 . . . . 0.73 112.277 174.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.7 ptpt -63.72 -27.14 69.0 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.134 0.492 . . . . 0.87 111.287 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -83.18 -28.73 29.12 Favored 'General case' 0 CA--C 1.479 -1.769 0 N-CA-C 107.261 -1.385 . . . . 1.09 107.261 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 37.6 mt -91.5 39.65 1.01 Allowed 'General case' 0 C--O 1.195 -1.812 0 CA-C-N 113.788 -1.551 . . . . 0.89 111.01 -171.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -43.55 -8.21 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.161 2.185 . . . . 2.81 115.799 174.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.552 HG22 ' HA ' ' A' ' 31' ' ' SER . 71.2 p -130.21 169.08 15.84 Favored 'General case' 0 N--CA 1.424 -1.735 0 O-C-N 121.542 -0.724 . . . . 0.34 110.318 173.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.824 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.3 t -63.55 -42.6 96.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 109.392 -0.596 . . . . 0.18 109.392 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.501 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -72.31 -28.42 68.01 Favored Glycine 0 CA--C 1.482 -2.004 0 CA-C-N 115.184 -0.916 . . . . 0.2 112.325 -175.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.517 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 3.6 t70 -68.58 -48.48 64.08 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 107.196 -1.409 . . . . 0.62 107.196 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.5 -50.95 71.53 Favored 'General case' 0 CA--C 1.5 -0.961 0 CA-C-N 114.651 -1.159 . . . . 0.21 109.89 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.606 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.3 m -55.5 -34.43 64.62 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.574 0.75 . . . . 0.28 111.477 179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 9.7 tppt? -63.63 -49.73 72.14 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.911 -0.774 . . . . 2.01 108.911 -177.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.473 ' HE2' HG13 ' A' ' 58' ' ' ILE . 73.4 t80 -67.81 -50.39 57.1 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 114.626 -1.17 . . . . 0.56 110.001 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 68.3 mt -56.99 -46.9 84.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-N 115.188 -0.915 . . . . 0.32 111.722 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.586 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 3.7 tt -70.46 -43.63 69.43 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.115 0.483 . . . . 0.92 109.733 -176.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -64.26 -35.75 81.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.836 0.827 . . . . 0.68 111.905 -177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -95.2 6.29 49.44 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-N 115.053 -0.976 . . . . 0.79 112.289 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.586 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 59.2 mm-40 -48.83 136.57 13.7 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 114.464 1.283 . . . . 1.07 114.464 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.18 0 CA-C-N 114.163 -1.381 . . . . 2.75 107.717 175.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.571 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 109.294 -0.632 . . . . 1.43 109.294 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.6 173.18 10.35 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 116.158 -0.474 . . . . 0.87 110.066 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.713 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 72.7 p -119.34 -170.4 1.92 Allowed 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 105.761 -1.941 . . . . 0.82 105.761 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 73' ' ' THR . 0.7 OUTLIER -60.55 -50.36 73.85 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.624 -0.88 . . . . 1.24 108.624 177.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.7 mp0 -56.47 -46.57 80.36 Favored 'General case' 0 C--N 1.309 -1.172 0 C-N-CA 124.461 1.105 . . . . 2.43 110.768 -179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.713 ' HB2' ' H ' ' A' ' 3' ' ' THR . 9.0 mm-40 -68.95 -45.71 70.03 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 115.872 -0.603 . . . . 2.07 112.548 -177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.696 HG21 ' HA ' ' A' ' 73' ' ' THR . 90.3 mt -57.11 -51.48 68.47 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 N-CA-C 109.236 -0.653 . . . . 0.25 109.236 176.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 HG13 HG12 ' A' ' 26' ' ' VAL . 69.0 t -58.73 -52.42 60.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 115.404 -0.816 . . . . 0.2 111.586 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.98 64.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.651 0.241 . . . . 0.28 111.651 -178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.46 -43.66 12.19 Favored Glycine 0 N--CA 1.427 -1.96 0 N-CA-C 110.813 -0.915 . . . . 0.18 110.813 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.0 mt -63.21 -46.75 85.55 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.031 -1.1 . . . . 0.26 108.031 174.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.77 -50.68 67.86 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-N 115.143 -0.935 . . . . 0.15 112.384 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -57.37 -30.12 64.6 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.806 0.336 . . . . 0.76 111.897 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 46.0 mt -75.61 -54.47 13.79 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.192 0 N-CA-C 108.786 -0.82 . . . . 0.25 108.786 176.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 32' ' ' PHE . 47.6 t -51.27 -38.6 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 124.691 1.197 . . . . 0.2 110.733 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -48.01 43.32 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 124.503 1.121 . . . . 0.85 111.323 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -80.62 -35.34 34.17 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 113.849 1.055 . . . . 2.35 113.849 -171.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.63 -55.15 6.3 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 C-N-CA 118.108 -1.437 . . . . 0.28 110.563 -175.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.57 32.28 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-O 121.391 0.615 . . . . 0.44 110.733 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.92 4.76 33.7 Favored Glycine 0 N--CA 1.428 -1.894 0 C-N-CA 120.205 -0.997 . . . . 0.27 112.592 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.631 ' HB ' HG12 ' A' ' 15' ' ' VAL . 36.8 mm -77.46 116.02 54.39 Favored Pre-proline 0 CA--C 1.51 -0.57 0 CA-C-N 117.362 0.581 . . . . 0.25 109.541 -179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 27.8 Cg_exo -62.57 163.26 21.68 Favored 'Trans proline' 0 C--O 1.242 0.709 0 C-N-CA 123.728 2.952 . . . . 0.33 113.396 -177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -70.7 -21.31 22.66 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.9 111.606 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -80.93 -19.04 45.12 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.972 -0.558 . . . . 2.99 110.023 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -87.86 -49.29 7.19 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.759 -0.46 . . . . 0.71 109.759 -176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.492 HG23 HG22 ' A' ' 21' ' ' ILE . 87.2 t -59.65 102.14 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.597 0.759 . . . . 0.19 111.043 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 32.8 mmtp -125.63 163.21 23.27 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.699 -0.852 . . . . 2.03 108.699 176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 HD12 ' HA2' ' A' ' 70' ' ' GLY . 5.7 tp -56.57 -22.51 34.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 126.183 1.793 . . . . 1.2 114.397 -173.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -115.64 21.05 14.26 Favored 'General case' 0 C--N 1.271 -2.837 0 O-C-N 121.349 -0.845 . . . . 2.12 110.051 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HD2' ' OD2' ' A' ' 35' ' ' ASP . 71.3 mmtt -106.13 125.74 51.37 Favored 'General case' 0 N--CA 1.406 -2.643 0 N-CA-C 108.022 -1.103 . . . . 1.38 108.022 -177.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.856 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 9.8 m -81.36 110.16 16.54 Favored 'General case' 0 C--N 1.254 -3.577 0 N-CA-C 107.952 -1.129 . . . . 1.23 107.952 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.632 ' CE1' HG21 ' A' ' 15' ' ' VAL . 32.7 m-85 -36.66 -69.67 0.11 Allowed 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 116.348 1.981 . . . . 0.28 116.348 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.1 t -89.93 46.14 1.33 Allowed 'General case' 0 CA--C 1.563 1.453 0 CA-C-O 122.443 1.115 . . . . 1.39 110.587 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.856 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 10.6 t70 -154.13 -52.85 0.1 Allowed 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.564 -0.71 . . . . 0.59 109.663 -176.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' OD2' ' HD2' ' A' ' 30' ' ' LYS . 16.1 t70 -96.5 -55.57 2.88 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-N 115.081 -0.963 . . . . 1.31 110.827 -177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 21' ' ' ILE . 74.9 mt -70.41 -78.66 0.07 Allowed 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 113.839 -1.528 . . . . 0.41 109.927 -175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 135.17 67.83 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.075 0 C-N-CA 128.223 2.609 . . . . 1.24 109.681 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG21 ' HE2' ' A' ' 43' ' ' MET . 4.3 p -92.44 139.82 17.29 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 N-CA-C 106.481 -1.674 . . . . 0.79 106.481 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -81.17 3.71 22.71 Favored 'General case' 0 C--N 1.309 -1.193 0 C-N-CA 122.824 0.449 . . . . 2.28 110.314 -176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.446 ' O ' H28A ' A' ' 101' ' ' SXH . 53.7 p 68.06 -23.49 0.13 Allowed 'General case' 0 C--O 1.197 -1.684 0 C-N-CA 126.868 2.067 . . . . 0.75 114.199 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 78.9 mt -84.56 -23.39 29.72 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.918 -1.141 . . . . 0.86 107.918 -174.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.592 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.4 p -68.88 -30.06 68.48 Favored 'General case' 0 N--CA 1.398 -3.07 0 CA-C-N 114.134 -1.394 . . . . 0.71 108.75 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.608 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 46.7 tpp -59.71 -33.61 71.84 Favored 'General case' 0 C--O 1.194 -1.829 0 CA-C-N 115.343 -0.844 . . . . 0.42 111.165 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 48' ' ' VAL . 59.4 t -59.98 -46.62 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.095 0.474 . . . . 0.49 109.738 177.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.641 ' HB2' HD13 ' A' ' 18' ' ' ILE . 10.9 mm-40 -72.42 -33.36 67.06 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.459 -0.571 . . . . 1.85 109.459 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 59.1 t -64.09 -39.72 86.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.738 0 N-CA-C 108.496 -0.927 . . . . 0.3 108.496 178.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 58' ' ' ILE . 3.4 t -61.14 -60.22 3.02 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.173 0 C-N-CA 125.743 1.617 . . . . 1.49 110.306 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 44' ' ' VAL . 41.2 t -59.72 -23.61 26.7 Favored 'Isoleucine or valine' 0 C--O 1.249 1.058 0 CA-C-O 121.66 0.743 . . . . 0.84 111.889 -177.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -82.18 -45.9 14.5 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 121.45 0.643 . . . . 0.25 109.308 176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.492 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.04 -40.21 97.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.731 -0.668 . . . . 0.21 110.644 178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 49.1 mt-10 -55.22 -41.06 71.57 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 123.72 0.808 . . . . 0.73 110.106 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -81.54 -43.73 18.33 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 114.614 -1.176 . . . . 2.46 111.079 -172.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.492 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -74.59 -37.8 62.81 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.235 0.541 . . . . 1.72 111.415 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.598 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 49.6 m-85 -88.46 -16.15 33.52 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.933 -0.576 . . . . 0.34 109.582 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t70 58.3 17.78 4.96 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.102 1.761 . . . . 1.56 111.199 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.9 p -97.48 -31.75 3.91 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 CA-C-N 115.153 -0.93 . . . . 1.16 110.317 -175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.597 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.0 ttmt 67.35 109.78 0.04 OUTLIER 'General case' 0 C--O 1.236 0.344 0 CA-C-N 114.862 -1.063 . . . . 1.48 113.469 -179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.74 HG21 HD11 ' A' ' 66' ' ' LEU . 1.6 mp -125.01 93.72 45.23 Favored Pre-proline 0 CA--C 1.479 -1.762 0 N-CA-C 104.108 -2.553 . . . . 0.52 104.108 174.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.61 150.83 87.55 Favored 'Trans proline' 0 C--N 1.322 -0.817 0 C-N-CA 122.249 1.966 . . . . 0.41 109.898 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.4 p-10 -55.82 -26.08 44.84 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 121.425 0.631 . . . . 0.95 111.641 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.1 t70 -71.06 -32.48 69.18 Favored 'General case' 0 C--O 1.203 -1.342 0 C-N-CA 122.908 0.483 . . . . 1.16 111.054 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -89.49 -33.97 16.59 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.779 0.8 . . . . 1.58 110.622 178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG22 ' H2 ' ' A' ' 101' ' ' SXH . 0.6 OUTLIER -57.15 -27.06 26.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 114.531 -1.213 . . . . 0.73 111.383 -175.526 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.671 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.2 ptpt -51.91 -33.71 38.28 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.493 0.717 . . . . 0.87 111.845 175.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -74.4 -9.31 58.47 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.077 -0.965 . . . . 1.09 111.172 -175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD13 ' HA ' ' A' ' 72' ' ' ALA . 35.0 mt -92.38 -60.6 1.8 Allowed 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 122.108 0.956 . . . . 0.89 110.202 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.479 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH 0.315 18.9 ptmt 56.25 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.27 -2.884 0 C-N-CA 129.226 3.01 . . . . 2.81 115.811 -176.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.655 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 82.6 p -101.07 174.16 6.13 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.215 -0.661 . . . . 0.34 109.215 176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.576 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -72.38 -52.54 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.667 0 C-N-CA 120.168 -0.613 . . . . 0.18 109.789 175.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.64 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -64.23 -25.05 69.44 Favored Glycine 0 N--CA 1.435 -1.37 0 N-CA-C 115.021 0.768 . . . . 0.2 115.021 -176.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.8 -40.73 72.36 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 108.004 -1.11 . . . . 0.62 108.004 177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.3 -51.49 67.48 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 114.131 -1.395 . . . . 0.21 108.093 176.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.696 ' HA ' HG21 ' A' ' 7' ' ' ILE . 48.4 m -57.02 -32.38 66.1 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 114.792 -1.095 . . . . 0.28 110.766 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -67.76 -51.78 45.07 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 108.438 -0.949 . . . . 2.01 108.438 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -64.6 -46.54 82.25 Favored 'General case' 0 N--CA 1.432 -1.337 0 CA-C-N 114.644 -1.162 . . . . 0.56 110.987 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG12 HD11 ' A' ' 58' ' ' ILE . 90.0 mt -66.56 -46.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 115.027 -0.988 . . . . 0.32 111.101 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 43.8 tp -67.49 -44.34 78.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.42 0.628 . . . . 0.92 110.193 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.89 -35.58 75.13 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.544 -0.753 . . . . 0.68 111.277 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -98.52 5.5 47.88 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 113.42 0.896 . . . . 0.79 113.42 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.69 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 61.5 mm-40 -44.23 120.5 2.17 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 113.87 1.063 . . . . 1.07 113.87 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.35 0 CA-C-N 115.246 -0.888 . . . . 2.75 108.657 -178.686 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.743 ' H2 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.635 0 N-CA-C 109.044 -0.724 . . . . 1.43 109.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 77' ' ' LEU . . . -138.82 162.08 35.65 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 106.225 -1.768 . . . . 0.87 106.225 176.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.722 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 49.8 p -114.25 -159.61 0.7 Allowed 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.033 -1.099 . . . . 0.82 108.033 -177.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.8 OUTLIER -71.5 -46.81 58.76 Favored 'General case' 0 N--CA 1.414 -2.226 0 N-CA-C 106.855 -1.535 . . . . 1.24 106.855 173.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -56.53 -46.39 80.64 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.445 0.466 . . . . 2.43 111.478 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.722 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.8 mp0 -68.15 -54.05 20.73 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.995 0.739 . . . . 2.07 112.995 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.58 HG21 ' HA ' ' A' ' 73' ' ' THR . 75.6 mt -58.57 -46.11 90.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.314 0 C-N-CA 120.348 -0.541 . . . . 0.25 110.741 179.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 26' ' ' VAL . 66.8 t -58.95 -50.22 80.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 123.587 0.555 . . . . 0.2 111.707 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.73 -34.22 75.42 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.609 0.242 . . . . 0.28 111.402 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.13 -45.07 42.38 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 111.001 -0.84 . . . . 0.18 111.001 -178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 83.0 mt -64.88 -45.57 85.44 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.198 -0.667 . . . . 0.26 109.198 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.592 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.86 -49.9 74.08 Favored 'General case' 0 C--O 1.206 -1.196 0 CA-C-N 115.438 -0.801 . . . . 0.15 112.622 -178.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 8.1 pt-20 -57.36 -38.63 74.48 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 117.993 0.36 . . . . 0.76 111.629 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.813 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.8 mt -65.2 -51.14 69.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 108.942 -0.762 . . . . 0.25 108.942 177.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.686 HG21 ' CE1' ' A' ' 32' ' ' PHE . 74.4 t -52.15 -44.66 41.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 C-N-CA 124.447 1.099 . . . . 0.2 111.016 175.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -50.83 -46.12 59.83 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 123.781 0.832 . . . . 0.85 110.088 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 42.9 mt-10 -72.7 -46.77 52.03 Favored 'General case' 0 N--CA 1.428 -1.554 0 CA-C-N 114.49 -1.232 . . . . 2.35 113.02 -174.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.5 mt -92.97 -55.91 5.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 118.337 -1.345 . . . . 0.28 110.996 -174.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.48 ' CB ' HG22 ' A' ' 38' ' ' VAL . . . -78.66 -51.57 9.67 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.329 0.585 . . . . 0.44 111.004 -177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.08 1.33 10.47 Favored Glycine 0 N--CA 1.415 -2.759 0 C-N-CA 120.262 -0.97 . . . . 0.27 113.909 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.789 HG13 ' HB3' ' A' ' 36' ' ' LEU . 46.1 mm -78.55 121.37 83.56 Favored Pre-proline 0 CA--C 1.506 -0.744 0 C-N-CA 117.588 -1.645 . . . . 0.25 110.19 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.7 Cg_exo -63.71 162.06 29.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 123.426 2.75 . . . . 0.33 112.296 -178.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.592 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 31.0 m -69.85 -17.03 20.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.063 -0.517 . . . . 0.9 111.687 -175.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -96.05 -1.02 49.66 Favored 'General case' 0 N--CA 1.415 -2.181 0 CA-C-O 121.422 0.63 . . . . 2.99 109.594 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.05 -36.17 6.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 119.762 -0.775 . . . . 0.71 109.576 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 36' ' ' LEU . 70.0 t -64.03 93.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-O 121.431 0.634 . . . . 0.19 109.447 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 74.5 mmtt -111.89 156.86 21.38 Favored 'General case' 0 C--N 1.285 -2.236 0 N-CA-C 106.281 -1.748 . . . . 2.03 106.281 174.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.88 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.11 -16.32 59.61 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.637 1.347 . . . . 1.2 114.637 -171.8 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -93.43 7.12 45.78 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.756 0.789 . . . . 2.12 109.252 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' HG23 ' A' ' 69' ' ' VAL . 3.4 mptp? -103.84 119.61 39.27 Favored 'General case' 0 N--CA 1.396 -3.135 0 CA-C-N 114.965 -1.016 . . . . 1.38 109.86 -175.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.8 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 6.3 m -75.34 106.31 6.81 Favored 'General case' 0 C--N 1.256 -3.498 0 N-CA-C 106.297 -1.742 . . . . 1.23 106.297 170.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.686 ' CE1' HG21 ' A' ' 15' ' ' VAL . 62.1 m-85 -38.5 -59.2 0.94 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.459 0.704 . . . . 0.28 112.876 177.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 m -91.87 63.06 4.46 Favored 'General case' 0 N--CA 1.402 -2.828 0 CA-C-N 115.121 -0.945 . . . . 1.39 109.881 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.8 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.4 t70 174.28 -67.18 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 124.748 1.219 . . . . 0.59 110.298 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 0.8 OUTLIER -78.46 -40.87 34.35 Favored 'General case' 0 CA--C 1.489 -1.376 0 C-N-CA 124.786 1.234 . . . . 1.31 110.987 -171.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.789 ' HB3' HG13 ' A' ' 21' ' ' ILE . 89.3 mt -84.36 -93.26 0.08 Allowed 'General case' 0 N--CA 1.422 -1.844 0 CA-C-N 114.469 -1.241 . . . . 0.41 111.155 -176.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.637 ' HB3' HD11 ' A' ' 21' ' ' ILE . 29.1 t70 156.28 63.97 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 C-N-CA 125.713 1.605 . . . . 1.24 108.259 -177.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' CB ' ' A' ' 19' ' ' ALA . 39.6 t -119.39 125.31 74.3 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.326 0 N-CA-C 103.772 -2.677 . . . . 0.79 103.772 176.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.8 m-20 -88.89 9.46 24.78 Favored 'General case' 0 C--O 1.2 -1.512 0 N-CA-C 110.061 -0.348 . . . . 2.28 110.061 -168.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 68.7 p 72.18 -6.15 1.6 Allowed 'General case' 0 C--O 1.214 -0.776 0 C-N-CA 126.608 1.963 . . . . 0.75 113.648 179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 39' ' ' ASP . 4.6 mp -83.18 -22.49 33.21 Favored 'General case' 0 CA--C 1.489 -1.391 0 CA-C-O 122.333 1.063 . . . . 0.86 108.184 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.586 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.2 p -79.74 -23.65 42.14 Favored 'General case' 0 N--CA 1.383 -3.802 0 CA-C-N 113.463 -1.699 . . . . 0.71 108.427 176.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.684 ' HG2' H43A ' A' ' 101' ' ' SXH . 42.5 tpp -62.92 -36.54 83.74 Favored 'General case' 0 C--O 1.2 -1.524 0 CA-C-N 115.984 -0.553 . . . . 0.42 111.317 -171.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.18 -45.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.277 0.561 . . . . 0.49 110.013 176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.639 ' HB2' HD13 ' A' ' 18' ' ' ILE . 52.0 mm-40 -75.17 -27.26 59.62 Favored 'General case' 0 N--CA 1.434 -1.229 0 CA-C-N 115.866 -0.606 . . . . 1.85 110.401 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.813 ' HA ' HG21 ' A' ' 14' ' ' ILE . 58.5 t -70.51 -36.1 64.62 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 N-CA-C 107.896 -1.15 . . . . 0.3 107.896 177.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.625 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.3 t -63.17 -63.61 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.491 -1.307 0 C-N-CA 125.226 1.41 . . . . 1.49 109.806 177.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.08 -30.36 28.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 O-C-N 123.506 0.504 . . . . 0.84 112.11 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.67 23.51 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 109.767 -0.457 . . . . 0.25 109.767 178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.53 -39.42 93.5 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 116.255 -0.429 . . . . 0.21 110.992 179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 49.8 mt-10 -62.26 -38.94 91.21 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.047 -0.353 . . . . 0.73 110.047 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -77.85 -35.27 51.21 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.566 -0.743 . . . . 2.46 112.161 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.8 ptm180 -82.32 -36.82 26.57 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.392 0.615 . . . . 1.72 111.391 -177.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 51.3 m-85 -90.22 -20.06 23.45 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 116.252 -0.431 . . . . 0.34 111.572 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.0 t70 65.01 8.93 5.05 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-O 122.852 1.311 . . . . 1.56 110.508 -177.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.567 HG11 ' HA ' ' A' ' 76' ' ' ILE . 46.2 t -78.61 -51.76 16.71 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 114.566 -1.197 . . . . 1.16 109.522 -178.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.682 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.1 ttmm 72.55 103.95 0.07 Allowed 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.263 -1.335 . . . . 1.48 113.228 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.689 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -127.35 92.49 43.44 Favored Pre-proline 0 CA--C 1.489 -1.366 0 N-CA-C 105.397 -2.075 . . . . 0.52 105.397 176.492 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.56 151.18 64.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.119 1.88 . . . . 0.41 109.996 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.8 p-10 -54.34 -28.06 40.28 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.055 0.391 . . . . 0.95 112.055 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 24.5 t70 -66.88 -28.84 68.65 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-O 121.223 0.535 . . . . 1.16 110.95 176.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -89.06 -40.72 12.76 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 107.875 -1.158 . . . . 1.58 107.875 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -57.07 -22.28 16.21 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 C-N-CA 125.551 1.54 . . . . 0.73 112.944 -177.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.5 ptpt -57.96 -31.02 66.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.213 0.53 . . . . 0.87 111.154 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -77.74 -6.68 54.84 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-N 114.837 -1.074 . . . . 1.09 109.259 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.847 HD13 ' HA ' ' A' ' 72' ' ' ALA . 45.4 mt -119.34 37.95 4.0 Favored 'General case' 0 C--O 1.201 -1.448 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.82 -175.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -39.44 -28.03 0.03 OUTLIER 'General case' 0 CA--C 1.572 1.81 0 N-CA-C 116.067 1.877 . . . . 2.81 116.067 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.618 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.0 p -103.6 166.26 10.53 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 119.116 -1.034 . . . . 0.34 112.568 174.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.88 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.5 t -65.17 -46.46 90.88 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.06 0 CA-C-N 115.577 -0.738 . . . . 0.18 109.314 177.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.521 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.78 -26.97 72.3 Favored Glycine 0 CA--C 1.483 -1.951 0 CA-C-N 115.378 -0.828 . . . . 0.2 112.553 -178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.3 t0 -71.61 -43.82 65.53 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 107.862 -1.162 . . . . 0.62 107.862 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.847 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.17 -48.37 81.88 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.962 -1.017 . . . . 0.21 109.119 176.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.58 ' HA ' HG21 ' A' ' 7' ' ' ILE . 59.0 m -59.66 -23.38 63.02 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 114.994 -1.003 . . . . 0.28 111.677 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 74' ' ' LYS . 3.1 tppp? -74.16 -56.33 5.03 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 108.152 -1.055 . . . . 2.01 108.152 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -63.07 -45.84 90.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.196 -1.366 . . . . 0.56 111.111 -177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.567 ' HA ' HG11 ' A' ' 56' ' ' VAL . 61.4 mt -67.29 -36.63 77.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 CA-C-N 115.542 -0.754 . . . . 0.32 111.703 -176.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 2' ' ' ALA . 6.6 tt -71.88 -37.38 70.18 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.798 -0.816 . . . . 0.92 108.798 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -71.3 -33.63 69.88 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.522 -0.763 . . . . 0.68 111.157 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.464 ' CB ' HG13 ' A' ' 56' ' ' VAL . 9.9 m-70 -97.51 6.31 48.32 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 113.815 1.043 . . . . 0.79 113.815 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 76' ' ' ILE . 70.8 mm-40 -48.55 159.33 0.23 Allowed 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 114.003 1.112 . . . . 1.07 114.003 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 CA-C-N 115.203 -0.908 . . . . 2.75 109.933 178.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.684 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.131 -0.692 . . . . 1.43 109.131 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -155.76 -167.97 2.65 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.146 -0.687 . . . . 0.87 109.146 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.761 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.8 p -138.01 -170.05 2.7 Favored 'General case' 0 N--CA 1.433 -1.312 0 N-CA-C 106.051 -1.833 . . . . 0.82 106.051 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -44.48 76.95 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 107.595 -1.261 . . . . 1.24 107.595 175.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -57.03 -50.38 72.91 Favored 'General case' 0 C--O 1.221 -0.442 0 O-C-N 123.701 0.625 . . . . 2.43 111.384 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' HB2' ' H ' ' A' ' 3' ' ' THR . 21.1 mm-40 -60.48 -50.01 75.26 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.056 -0.975 . . . . 2.07 112.758 -174.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.74 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 79.3 mt -60.95 -55.49 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 O-C-N 123.238 0.336 . . . . 0.25 110.293 176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.5 t -56.03 -48.05 79.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 123.789 0.681 . . . . 0.2 112.221 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.11 -32.26 73.88 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.72 0.295 . . . . 0.28 111.163 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.88 -42.97 43.45 Favored Glycine 0 N--CA 1.423 -2.216 0 N-CA-C 110.909 -0.877 . . . . 0.18 110.909 -179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 61.5 mt -64.71 -49.14 72.06 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 108.438 -0.949 . . . . 0.26 108.438 177.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.88 62.44 Favored 'General case' 0 C--O 1.201 -1.494 0 O-C-N 124.247 0.967 . . . . 0.15 112.309 -177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 11.2 pt-20 -55.49 -37.32 67.67 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.501 0.501 . . . . 0.76 111.887 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.851 HG21 ' HA ' ' A' ' 46' ' ' VAL . 53.6 mt -70.56 -47.04 67.25 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 115.846 -0.615 . . . . 0.25 109.538 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.733 HG21 ' CE1' ' A' ' 32' ' ' PHE . 53.5 t -56.71 -38.93 60.43 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 C-N-CA 124.118 0.967 . . . . 0.2 110.549 175.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.568 ' OD1' ' HA ' ' A' ' 13' ' ' GLU . 8.9 m120 -55.86 -51.22 68.29 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.567 0.699 . . . . 0.85 109.304 177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 57.5 mm-40 -63.88 -49.21 73.63 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 114.554 -1.203 . . . . 2.35 112.86 -175.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 4.4 mt -90.96 -56.02 5.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 118.438 -1.305 . . . . 0.28 111.012 -174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.527 ' HA ' ' OD1' ' A' ' 39' ' ' ASP . . . -77.23 -42.36 37.64 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -176.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.03 18.63 21.72 Favored Glycine 0 N--CA 1.432 -1.602 0 C-N-CA 120.469 -0.872 . . . . 0.27 112.124 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD13 ' A' ' 36' ' ' LEU . 39.0 mm -86.25 120.04 72.03 Favored Pre-proline 0 CA--C 1.499 -1.018 0 N-CA-C 108.519 -0.919 . . . . 0.25 108.519 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -53.03 156.75 9.28 Favored 'Trans proline' 0 C--O 1.243 0.729 0 C-N-CA 124.391 3.394 . . . . 0.33 114.493 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.9 m -58.41 -24.5 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.946 0.899 . . . . 0.9 112.668 -177.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.23 -2.05 15.89 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 115.614 -0.721 . . . . 2.99 112.143 -175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -85.49 -33.97 21.71 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 106.8 -1.556 . . . . 0.71 106.8 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.9 t -65.56 83.99 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 114.688 -1.142 . . . . 0.19 109.703 172.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 66.6 mttm -104.89 157.03 17.49 Favored 'General case' 0 C--N 1.287 -2.144 0 N-CA-C 105.785 -1.932 . . . . 2.03 105.785 174.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.747 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.258 2.2 pp -57.35 -41.59 80.37 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.324 1.601 . . . . 1.2 115.324 -169.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.17 15.56 6.08 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.746 -1.221 . . . . 2.12 111.294 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.1 mmtt -91.5 92.98 8.76 Favored 'General case' 0 N--CA 1.405 -2.699 0 N-CA-C 108.147 -1.057 . . . . 1.38 108.147 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.72 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 5.2 m -52.08 104.99 0.1 Allowed 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.167 -1.049 . . . . 1.23 108.167 172.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.733 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.3 m-85 -39.79 -63.14 0.62 Allowed 'General case' 0 C--O 1.245 0.86 0 N-CA-C 113.358 0.873 . . . . 0.28 113.358 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.77 44.59 0.46 Allowed 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 125.152 1.381 . . . . 1.39 112.01 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.72 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.0 t70 -171.42 -61.55 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 121.33 0.586 . . . . 0.59 112.002 -178.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.6 -33.99 25.22 Favored 'General case' 0 CA--C 1.484 -1.568 0 C-N-CA 123.902 0.881 . . . . 1.31 110.662 -175.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD13 HG21 ' A' ' 21' ' ' ILE . 79.7 mt -92.78 -88.07 0.22 Allowed 'General case' 0 N--CA 1.422 -1.856 0 CA-C-N 114.975 -1.012 . . . . 0.41 110.552 -177.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.1 t70 144.94 69.34 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.41 2.284 . . . . 1.24 108.997 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.9 p -91.0 154.62 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.064 0 N-CA-C 107.569 -1.271 . . . . 0.79 107.569 176.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' OD1' ' HA ' ' A' ' 19' ' ' ALA . 1.7 m-20 -75.12 -9.47 58.57 Favored 'General case' 0 CA--C 1.492 -1.283 0 N-CA-C 109.657 -0.497 . . . . 2.28 109.657 -178.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.442 ' HB2' H28A ' A' ' 101' ' ' SXH . 93.2 p 68.16 -25.4 0.13 Allowed 'General case' 0 C--O 1.203 -1.345 0 C-N-CA 126.796 2.038 . . . . 0.75 111.473 -170.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD23 H31B ' A' ' 101' ' ' SXH . 75.5 mt -81.82 -23.44 36.46 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 107.775 -1.194 . . . . 0.86 107.775 -179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.603 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -73.47 -24.34 60.19 Favored 'General case' 0 N--CA 1.394 -3.247 0 CA-C-N 114.588 -1.187 . . . . 0.71 109.079 178.243 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.825 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 41.1 tpp -65.18 -36.37 84.01 Favored 'General case' 0 C--O 1.197 -1.665 0 O-C-N 123.543 0.527 . . . . 0.42 110.301 -173.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.0 t -65.43 -28.51 44.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-O 121.381 0.61 . . . . 0.49 110.87 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.529 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.25 -36.8 22.43 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 108.355 -0.98 . . . . 1.85 108.355 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.851 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.2 t -62.61 -36.81 76.89 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.568 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.0 t -60.77 -64.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 C-N-CA 125.143 1.377 . . . . 1.49 111.003 178.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.562 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.5 t -61.09 -27.7 42.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.097 0.475 . . . . 0.84 111.059 -176.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.93 -38.44 61.79 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.606 -0.725 . . . . 0.25 110.215 177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -73.23 -40.7 64.48 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.115 -0.493 . . . . 0.21 110.618 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.684 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 60.0 mt-10 -61.81 -34.34 75.74 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 123.137 0.575 . . . . 0.73 109.598 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.9 -46.61 74.33 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 114.778 -1.101 . . . . 2.46 109.822 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptp180 -84.45 -30.94 24.88 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 114.912 -1.04 . . . . 1.72 113.039 -173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.74 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 34.4 m-85 -97.03 -17.81 19.79 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 112.362 0.505 . . . . 0.34 112.362 -176.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t70 63.84 4.49 1.95 Allowed 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 125.396 1.478 . . . . 1.56 111.284 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.618 HG11 HG23 ' A' ' 76' ' ' ILE . 6.0 p -76.56 -33.58 22.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.91 -0.586 . . . . 1.16 110.14 -175.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.609 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 40.1 tptt 64.17 92.69 0.07 Allowed 'General case' 0 CA--C 1.555 1.171 0 CA-C-N 114.632 -1.167 . . . . 1.48 112.43 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.684 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -120.69 98.27 48.09 Favored Pre-proline 0 CA--C 1.472 -2.024 0 N-CA-C 105.363 -2.088 . . . . 0.52 105.363 175.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.13 152.87 68.69 Favored 'Trans proline' 0 N--CA 1.445 -1.335 0 C-N-CA 121.38 1.387 . . . . 0.41 109.575 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 6.0 t70 -54.81 -30.38 57.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.313 1.054 . . . . 0.95 111.583 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -63.4 -32.21 73.58 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 114.333 -1.303 . . . . 1.16 110.586 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -89.68 -39.75 12.99 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.495 -0.928 . . . . 1.58 108.495 177.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.576 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.14 -21.86 15.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.919 0 C-N-CA 125.663 1.585 . . . . 0.73 112.863 -176.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HB3' ' C37' ' A' ' 101' ' ' SXH . 19.4 ptpt -54.84 -34.69 63.15 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.38 0.61 . . . . 0.87 111.373 177.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.3 -21.27 61.37 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.19 -0.913 . . . . 1.09 109.6 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -99.01 37.99 1.45 Allowed 'General case' 0 C--O 1.197 -1.682 0 CA-C-N 114.808 -1.087 . . . . 0.89 109.188 -172.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG3' HG23 ' A' ' 68' ' ' THR . 10.4 ptpp? -35.22 -29.59 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 126.516 1.926 . . . . 2.81 115.259 176.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 63.3 p -109.95 168.45 9.41 Favored 'General case' 0 N--CA 1.416 -2.148 0 C-N-CA 119.616 -0.834 . . . . 0.34 111.489 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.747 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 37.4 t -63.5 -49.63 81.79 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 115.307 -0.86 . . . . 0.18 109.416 178.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.571 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.05 -25.41 75.44 Favored Glycine 0 N--CA 1.418 -2.503 0 CA-C-N 114.627 -1.17 . . . . 0.2 111.752 -178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.509 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 4.2 t70 -68.88 -45.18 71.65 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 107.58 -1.267 . . . . 0.62 107.58 178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.17 -49.58 77.08 Favored 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 114.726 -1.124 . . . . 0.21 109.101 175.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.657 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.1 m -58.1 -28.81 64.95 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.01 -0.995 . . . . 0.28 111.624 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.571 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 1.5 tppt? -67.53 -52.21 41.63 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 107.503 -1.295 . . . . 2.01 107.503 -179.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -68.43 -47.04 68.28 Favored 'General case' 0 N--CA 1.434 -1.272 0 CA-C-N 113.826 -1.534 . . . . 0.56 110.873 -176.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 HG11 ' A' ' 56' ' ' VAL . 71.2 mt -62.53 -42.48 95.98 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 CA-C-N 115.016 -0.993 . . . . 0.32 111.79 -177.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 38.2 tp -73.75 -39.83 63.94 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.356 0.598 . . . . 0.92 110.355 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.37 -28.04 66.77 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.566 -0.743 . . . . 0.68 111.615 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -102.56 6.23 39.74 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.828 1.047 . . . . 0.79 113.828 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.601 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 69.5 mm-40 -46.74 144.34 2.39 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.215 1.561 . . . . 1.07 115.215 -178.332 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 106.999 -1.482 . . . . 2.75 106.999 175.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.825 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.394 0.616 . . . . 1.43 110.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -83.57 173.43 11.43 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.176 -0.92 . . . . 0.87 109.184 177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.677 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 30.9 p -118.35 -169.52 1.72 Allowed 'General case' 0 N--CA 1.424 -1.73 0 N-CA-C 107.817 -1.179 . . . . 0.82 107.817 -177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -49.12 76.67 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 107.758 -1.201 . . . . 1.24 107.758 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.58 -48.03 80.48 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.159 -0.928 . . . . 2.43 110.889 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.677 ' HB2' ' H ' ' A' ' 3' ' ' THR . 44.8 mt-10 -67.77 -45.06 75.94 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 112.976 0.732 . . . . 2.07 112.976 -175.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 91.7 mt -57.4 -51.01 75.0 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.779 0 N-CA-C 109.033 -0.729 . . . . 0.25 109.033 176.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 HG12 ' A' ' 26' ' ' VAL . 54.9 t -56.34 -57.19 9.75 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 O-C-N 124.182 0.926 . . . . 0.2 111.266 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.99 -30.62 70.38 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 122.479 0.312 . . . . 0.28 111.723 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.4 -42.56 41.16 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 110.875 -0.89 . . . . 0.18 110.875 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 7' ' ' ILE . 74.1 mt -65.27 -48.96 71.38 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.974 -1.121 . . . . 0.26 107.974 175.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.5 -50.12 68.55 Favored 'General case' 0 C--O 1.202 -1.439 0 CA-C-N 114.655 -1.157 . . . . 0.15 112.55 -177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 9.1 pt-20 -57.22 -34.65 68.78 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 118.18 0.445 . . . . 0.76 111.624 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.786 HG21 ' HA ' ' A' ' 46' ' ' VAL . 61.5 mt -73.79 -47.95 41.55 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 116.054 -0.521 . . . . 0.25 109.648 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.63 HG21 ' HE1' ' A' ' 32' ' ' PHE . 61.1 t -52.41 -44.99 44.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.816 0.846 . . . . 0.2 109.488 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.525 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.8 m-80 -53.31 -42.47 66.7 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.892 1.277 . . . . 0.85 111.811 176.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 46.6 mt-10 -69.43 -52.22 28.94 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-N 116.507 -0.315 . . . . 2.35 111.616 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.491 ' HB ' ' HB2' ' A' ' 42' ' ' SER . 4.9 mt -87.88 -55.05 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 C-N-CA 119.745 -0.782 . . . . 0.28 111.704 -172.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.33 -54.62 5.09 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.924 -0.485 . . . . 0.44 111.326 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.66 16.82 7.84 Favored Glycine 0 N--CA 1.43 -1.765 0 C-N-CA 120.366 -0.921 . . . . 0.27 113.144 -178.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.543 HG21 HD13 ' A' ' 36' ' ' LEU . 30.2 mm -78.41 116.7 61.32 Favored Pre-proline 0 CA--C 1.489 -1.403 0 N-CA-C 107.989 -1.115 . . . . 0.25 107.989 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 27.4 Cg_exo -57.78 155.28 33.18 Favored 'Trans proline' 0 C--O 1.239 0.567 0 C-N-CA 123.405 2.737 . . . . 0.33 113.978 -173.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 18.1 m -61.08 -24.42 33.05 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.643 0 N-CA-C 113.845 1.054 . . . . 0.9 113.845 -173.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -100.04 -8.67 23.53 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 119.642 -0.823 . . . . 2.99 112.284 178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -79.28 -37.58 37.47 Favored 'General case' 0 C--O 1.249 1.063 0 N-CA-C 106.784 -1.562 . . . . 0.71 106.784 -178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG12 HG13 ' A' ' 8' ' ' VAL . 92.5 t -68.6 97.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 114.003 -1.453 . . . . 0.19 107.302 171.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.632 ' HD2' ' HE3' ' A' ' 30' ' ' LYS . 99.3 mttt -102.61 -93.57 0.32 Allowed 'General case' 0 C--N 1.298 -1.641 0 CA-C-N 116.164 -0.471 . . . . 2.03 109.771 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.784 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.275 2.3 pp -148.53 -57.33 0.22 Allowed 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.0 -1.08 . . . . 1.2 111.966 171.344 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.24 26.85 0.85 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 122.186 0.993 . . . . 2.12 110.729 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.632 ' HE3' ' HD2' ' A' ' 27' ' ' LYS . 7.8 mmtp -98.17 93.65 6.37 Favored 'General case' 0 N--CA 1.398 -3.052 0 N-CA-C 106.052 -1.833 . . . . 1.38 106.052 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.43 ' CA ' HG22 ' A' ' 68' ' ' THR . 6.3 m -49.76 106.72 0.12 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 115.606 -0.725 . . . . 1.23 109.178 173.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.63 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -40.67 -63.82 0.6 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.26 0.837 . . . . 0.28 113.26 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.549 ' CG2' ' HB3' ' A' ' 40' ' ' SER . 3.2 p -73.06 42.44 0.11 Allowed 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 124.96 1.304 . . . . 1.39 114.313 177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 12.2 t70 -169.07 -64.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 121.221 0.534 . . . . 0.59 110.147 178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 15.0 t70 -69.29 -58.78 3.58 Favored 'General case' 0 CA--C 1.477 -1.835 0 CA-C-N 114.892 -1.049 . . . . 1.31 111.086 -175.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.1 mt -70.08 -74.17 0.14 Allowed 'General case' 0 N--CA 1.408 -2.527 0 CA-C-N 113.18 -1.827 . . . . 0.41 110.091 -174.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 125.78 61.79 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 128.658 2.783 . . . . 1.24 107.398 175.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG11 ' HB3' ' A' ' 32' ' ' PHE . 5.1 p -89.16 154.29 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.479 0 N-CA-C 106.794 -1.558 . . . . 0.79 106.794 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.2 t70 -99.89 99.08 9.81 Favored 'General case' 1 N--CA 1.373 -4.312 0 N-CA-C 100.786 -3.783 . . . . 2.28 100.786 176.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.638 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 25.7 p -45.13 -1.66 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.853 0 N-CA-C 116.67 2.1 . . . . 0.75 116.67 -175.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 39' ' ' ASP . 64.8 mt -86.89 -30.2 21.57 Favored 'General case' 0 N--CA 1.428 -1.575 0 N-CA-C 107.83 -1.174 . . . . 0.86 107.83 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.9 p -69.97 -26.66 64.2 Favored 'General case' 0 CA--C 1.464 -2.343 0 N-CA-C 108.401 -0.963 . . . . 0.71 108.401 178.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.913 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 49.8 tpp -58.86 -35.26 72.68 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 114.3 -1.318 . . . . 0.42 110.253 -173.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.69 -48.03 90.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 O-C-N 123.564 0.54 . . . . 0.49 109.649 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -71.08 -35.6 71.91 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 110.298 -0.26 . . . . 1.85 110.298 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.786 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.2 t -59.59 -42.21 87.49 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.204 -0.665 . . . . 0.3 109.204 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.6 t -65.28 -59.58 3.91 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 C-N-CA 124.967 1.307 . . . . 1.49 110.071 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.15 -41.13 32.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 O-C-N 123.72 0.638 . . . . 0.84 110.948 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -69.56 -42.59 74.35 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 115.9 -0.591 . . . . 0.25 109.862 -179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.61 -42.76 95.31 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-N 116.068 -0.515 . . . . 0.21 110.753 178.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.687 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.1 mt-10 -56.62 -42.46 78.87 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 123.187 0.595 . . . . 0.73 110.048 178.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -81.84 -25.9 34.73 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 113.575 0.954 . . . . 2.46 113.575 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.53 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.0 ptm180 -88.76 -31.59 18.32 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.242 0.544 . . . . 1.72 111.021 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.629 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 40.0 m-85 -93.36 -12.06 30.85 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-N 116.136 -0.483 . . . . 0.34 111.466 -178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.7 t70 61.82 6.72 1.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 125.121 1.369 . . . . 1.56 111.39 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.688 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -84.74 -39.8 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-N 115.668 -0.697 . . . . 1.16 111.185 -173.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mptm? 63.01 102.27 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 115.54 1.682 . . . . 1.48 115.54 -176.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.687 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.2 mp -119.47 107.33 41.14 Favored Pre-proline 0 CA--C 1.475 -1.909 0 N-CA-C 102.614 -3.106 . . . . 0.52 102.614 170.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -59.89 142.79 99.25 Favored 'Trans proline' 0 C--N 1.312 -1.345 0 N-CA-C 108.757 -1.286 . . . . 0.41 108.757 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.5 p30 -47.2 -35.98 8.21 Favored 'General case' 0 N--CA 1.486 1.365 0 CA-C-N 118.594 0.634 . . . . 0.95 111.95 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.592 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 30.8 t70 -70.34 -20.42 62.98 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 121.268 -0.895 . . . . 1.16 111.569 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -88.21 -33.83 17.99 Favored 'General case' 0 C--N 1.289 -2.042 0 N-CA-C 107.939 -1.134 . . . . 1.58 107.939 178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -56.24 -19.75 8.48 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.904 0 CA-C-N 113.025 -1.898 . . . . 0.73 112.602 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.592 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.2 ptpt -56.89 -30.14 63.64 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 121.031 0.443 . . . . 0.87 110.41 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -79.95 -8.04 59.11 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.699 -0.682 . . . . 1.09 109.406 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 72' ' ' ALA . 44.0 mt -116.06 39.52 3.05 Favored 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 115.802 -0.635 . . . . 0.89 109.43 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -49.13 -17.85 0.26 Allowed 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 114.272 1.212 . . . . 2.81 114.272 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.558 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 40.7 p -109.39 159.86 16.66 Favored 'General case' 0 N--CA 1.41 -2.438 0 O-C-N 121.497 -0.752 . . . . 0.34 111.244 175.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.784 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.8 t -60.4 -48.74 87.11 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.239 0 CA-C-N 115.399 -0.819 . . . . 0.18 110.319 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.32 -22.05 78.56 Favored Glycine 0 N--CA 1.438 -1.188 0 CA-C-N 115.341 -0.845 . . . . 0.2 112.629 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.558 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.2 t70 -70.25 -47.47 61.18 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 106.722 -1.585 . . . . 0.62 106.722 177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.839 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.99 -52.62 64.97 Favored 'General case' 0 CA--C 1.496 -1.114 0 CA-C-N 114.542 -1.208 . . . . 0.21 109.209 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.624 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.6 m -59.3 -21.83 60.28 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.972 -1.013 . . . . 0.28 112.237 -178.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.31 -53.62 8.45 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.555 -1.276 . . . . 2.01 107.555 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -65.09 -41.42 94.99 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 114.569 -1.196 . . . . 0.56 110.586 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.688 HG23 HG11 ' A' ' 56' ' ' VAL . 79.5 mt -68.67 -40.36 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.688 0 CA-C-N 115.045 -0.979 . . . . 0.32 112.038 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 2.8 tt -72.74 -40.09 66.36 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.254 0.55 . . . . 0.92 110.326 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -68.36 -29.94 68.78 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 122.39 1.091 . . . . 0.68 111.037 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -98.89 6.22 46.9 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 115.186 -0.915 . . . . 0.79 112.704 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.5 mm-40 -51.43 153.56 2.13 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 114.818 1.414 . . . . 1.07 114.818 -178.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.526 0 N-CA-C 107.611 -1.255 . . . . 2.75 107.611 177.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.913 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.824 0 N-CA-C 108.564 -0.902 . . . . 1.43 108.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.62 -168.71 2.25 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.91 -0.774 . . . . 0.87 108.91 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.731 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 73.0 p -126.43 -170.54 2.22 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.552 -1.277 . . . . 0.82 107.552 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -50.89 67.85 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 107.83 -1.174 . . . . 1.24 107.83 173.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -63.87 -38.25 90.41 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-N 115.562 -0.745 . . . . 2.43 111.717 -177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.731 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.2 mp0 -70.44 -46.69 63.38 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 113.001 0.741 . . . . 2.07 113.001 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 88.9 mt -60.77 -53.7 45.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 120.465 -0.494 . . . . 0.25 110.086 174.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -55.07 -49.08 74.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 123.719 0.637 . . . . 0.2 112.144 -177.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.97 -31.44 71.79 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 117.871 0.305 . . . . 0.28 111.254 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.95 -38.48 48.49 Favored Glycine 0 C--O 1.202 -1.871 0 N-CA-C 110.927 -0.869 . . . . 0.18 110.927 -178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD22 ' H6 ' ' A' ' 101' ' ' SXH . 79.8 mt -69.65 -47.86 61.9 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 108.355 -0.98 . . . . 0.26 108.355 175.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.48 -48.97 73.73 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.232 -0.895 . . . . 0.15 112.24 -177.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.55 -29.3 64.28 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.445 0.466 . . . . 0.76 111.911 -178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.759 HG21 ' HA ' ' A' ' 46' ' ' VAL . 60.5 mt -76.28 -51.34 20.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.254 0 N-CA-C 109.058 -0.719 . . . . 0.25 109.058 176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.668 HG21 ' HE1' ' A' ' 32' ' ' PHE . 48.4 t -51.81 -39.59 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.759 1.224 . . . . 0.2 110.391 176.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.97 -41.75 35.26 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.7 1.2 . . . . 0.85 111.373 176.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.17 -46.98 19.13 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.64 -0.709 . . . . 2.35 112.648 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.57 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.1 mt -92.23 -54.59 7.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 C-N-CA 118.948 -1.101 . . . . 0.28 110.992 -172.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -80.82 -32.32 35.24 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.96 0.409 . . . . 0.44 111.662 -177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.88 9.14 62.8 Favored Glycine 0 N--CA 1.434 -1.487 0 C-N-CA 120.749 -0.738 . . . . 0.27 112.443 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 36' ' ' LEU . 40.1 mm -79.57 121.97 83.21 Favored Pre-proline 0 CA--C 1.499 -0.988 0 N-CA-C 108.337 -0.986 . . . . 0.25 108.337 179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.34 156.78 53.97 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.872 2.381 . . . . 0.33 112.052 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.2 m -61.12 -32.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.283 -0.417 . . . . 0.9 111.373 -177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -81.67 -13.61 57.68 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.996 -0.547 . . . . 2.99 112.427 -178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.46 -38.34 16.18 Favored 'General case' 0 N--CA 1.428 -1.533 0 N-CA-C 108.259 -1.015 . . . . 0.71 108.259 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG22 HD13 ' A' ' 36' ' ' LEU . 84.1 t -68.1 94.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.419 0 C-N-CA 123.981 0.913 . . . . 0.19 109.956 175.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -120.93 164.84 16.07 Favored 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 106.446 -1.687 . . . . 2.03 106.446 173.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -63.43 -28.57 70.07 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 114.192 1.182 . . . . 1.2 114.192 -167.704 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -88.52 9.27 24.4 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 122.242 1.02 . . . . 2.12 109.54 -174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.614 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.3 mmtp -101.03 117.14 34.44 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-N 115.272 -0.876 . . . . 1.38 108.822 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.639 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 27.4 t -75.91 109.96 9.96 Favored 'General case' 0 C--N 1.244 -3.988 0 N-CA-C 106.664 -1.606 . . . . 1.23 106.664 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.668 ' HE1' HG21 ' A' ' 15' ' ' VAL . 58.4 m-85 -40.48 -65.99 0.36 Allowed 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 112.978 0.733 . . . . 0.28 112.978 176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.36 45.91 0.24 Allowed 'General case' 0 CA--C 1.56 1.36 0 C-N-CA 125.278 1.431 . . . . 1.39 112.829 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.525 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 24.2 t70 -169.83 -61.45 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 121.878 -0.514 . . . . 0.59 110.874 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 19.7 t70 -80.3 -63.38 1.42 Allowed 'General case' 0 CA--C 1.475 -1.925 0 CA-C-N 115.177 -0.92 . . . . 1.31 110.86 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 32' ' ' PHE . 70.0 mt -60.79 -76.88 0.05 OUTLIER 'General case' 0 N--CA 1.422 -1.835 0 CA-C-N 113.194 -1.821 . . . . 0.41 111.007 -173.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 4.8 t70 132.81 68.08 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 128.076 2.551 . . . . 1.24 107.487 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.446 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.9 p -87.62 152.09 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 0 C-N-CA 118.975 -1.09 . . . . 0.79 108.958 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -83.27 0.38 45.91 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 123.424 0.689 . . . . 2.28 109.985 -178.023 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.1 p 60.91 -32.15 0.07 Allowed 'General case' 0 C--N 1.359 0.982 0 C-N-CA 127.142 2.177 . . . . 0.75 114.022 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' ASP . 50.8 mt -77.42 -26.19 51.39 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 106.066 -1.828 . . . . 0.86 106.066 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.57 ' HA ' HG21 ' A' ' 18' ' ' ILE . 15.2 m -56.83 -39.75 74.79 Favored 'General case' 0 N--CA 1.412 -2.371 0 CA-C-N 113.297 -1.774 . . . . 0.71 108.265 175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.546 ' HG2' H43A ' A' ' 101' ' ' SXH . 36.7 tpp -60.96 -34.47 74.81 Favored 'General case' 0 C--O 1.194 -1.83 0 O-C-N 124.229 0.956 . . . . 0.42 110.616 -172.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.63 -43.84 96.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-O 121.091 0.472 . . . . 0.49 110.221 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.0 mt-10 -77.99 -32.71 51.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 120.718 -0.393 . . . . 1.85 110.601 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.759 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.7 t -60.67 -37.57 76.09 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.051 0 N-CA-C 108.401 -0.963 . . . . 0.3 108.401 175.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.4 t -58.97 -62.45 1.01 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.058 0 C-N-CA 124.983 1.313 . . . . 1.49 110.186 175.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.408 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 96.6 t -57.1 -27.1 26.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.044 0.45 . . . . 0.84 111.946 -177.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.12 -45.45 19.99 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.843 -0.617 . . . . 0.25 109.681 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.78 -36.85 85.66 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.325 0.65 . . . . 0.21 111.213 179.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.4 mt-10 -63.07 -39.73 95.58 Favored 'General case' 0 CA--C 1.496 -1.123 0 N-CA-C 108.913 -0.773 . . . . 0.73 108.913 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -72.08 -45.08 62.09 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.174 -1.375 . . . . 2.46 110.894 -174.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.464 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.5 ptm180 -82.51 -29.45 30.45 Favored 'General case' 0 C--N 1.297 -1.676 0 CA-C-N 115.536 -0.757 . . . . 1.72 112.707 -174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 52.6 m-85 -100.32 -15.64 17.95 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 112.667 0.617 . . . . 0.34 112.667 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.9 t70 61.8 13.76 5.68 Favored 'General case' 0 N--CA 1.504 2.234 0 CA-C-O 122.533 1.158 . . . . 1.56 110.442 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.567 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.2 p -89.09 -37.89 10.61 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.361 -0.836 . . . . 1.16 110.296 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 19.9 ttmm 60.02 97.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.471 1.285 . . . . 1.48 114.471 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.598 HD11 ' CG1' ' A' ' 76' ' ' ILE . 14.4 mt -117.02 107.32 46.02 Favored Pre-proline 0 CA--C 1.478 -1.813 0 N-CA-C 105.888 -1.893 . . . . 0.52 105.888 173.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 62' ' ' ASP . 14.9 Cg_endo -63.67 148.8 92.03 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 121.215 1.277 . . . . 0.41 108.925 173.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.611 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.1 p-10 -62.74 -15.93 55.37 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.395 0.617 . . . . 0.95 111.485 -179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.5 t70 -75.36 -31.2 60.45 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.289 0.566 . . . . 1.16 110.155 176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -86.91 -32.0 20.41 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 108.276 -1.009 . . . . 1.58 108.276 177.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.611 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -58.3 -21.56 17.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-N 113.768 -1.56 . . . . 0.73 111.905 -179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 20.0 ptpt -60.09 -27.38 66.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.457 0.646 . . . . 0.87 111.392 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -83.57 -5.99 59.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.155 -0.93 . . . . 1.09 109.809 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.794 HD13 ' HA ' ' A' ' 72' ' ' ALA . 61.5 mt -111.74 32.68 5.26 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 115.539 -0.755 . . . . 0.89 110.065 -175.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -36.16 -25.05 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 115.668 1.729 . . . . 2.81 115.668 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.639 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 15.4 p -110.43 156.41 20.86 Favored 'General case' 0 N--CA 1.42 -1.972 0 O-C-N 121.561 -0.712 . . . . 0.34 111.77 175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.708 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 22.6 t -57.13 -45.18 84.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.499 0.666 . . . . 0.18 109.891 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.564 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -69.23 -19.98 74.62 Favored Glycine 0 CA--C 1.473 -2.572 0 CA-C-N 115.068 -0.969 . . . . 0.2 113.421 -176.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.8 t70 -79.14 -44.35 22.17 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.181 -1.414 . . . . 0.62 107.181 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.794 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.96 -51.9 67.35 Favored 'General case' 0 C--O 1.208 -1.119 0 CA-C-N 114.86 -1.064 . . . . 0.21 108.707 174.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 7' ' ' ILE . 64.4 m -59.21 -33.38 70.92 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 123.975 0.91 . . . . 0.28 111.453 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -68.77 -43.66 75.29 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.065 -1.087 . . . . 2.01 108.065 -178.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.501 ' CE2' HG12 ' A' ' 58' ' ' ILE . 93.5 t80 -69.25 -47.47 64.6 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.675 -1.148 . . . . 0.56 109.972 179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' CG1' HD11 ' A' ' 58' ' ' ILE . 91.1 mt -60.51 -56.85 14.9 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.489 0 CA-C-N 115.527 -0.761 . . . . 0.32 111.752 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 80' ' ' GLN . 6.7 tt -58.08 -33.42 69.05 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.967 0.889 . . . . 0.92 110.485 -174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -76.33 -32.92 58.96 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 115.044 -0.98 . . . . 0.68 111.735 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -99.53 -14.81 18.89 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.701 1.0 . . . . 0.79 113.701 -175.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.468 ' CD ' ' HA ' ' A' ' 77' ' ' LEU . 3.8 pt20 -70.3 133.03 46.58 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.731 0.641 . . . . 1.07 112.731 -177.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.446 0 C-N-CA 125.11 1.364 . . . . 2.75 111.609 176.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.688 ' H6 ' HD22 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.499 0 N-CA-C 109.824 -0.435 . . . . 1.43 109.824 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.87 160.72 29.0 Favored 'General case' 0 C--N 1.312 -1.03 0 O-C-N 123.063 0.227 . . . . 0.87 110.54 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.761 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 14.7 p -117.51 -162.63 0.88 Allowed 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.521 -0.918 . . . . 0.82 108.521 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -55.72 22.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.551 -1.278 . . . . 1.24 107.551 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -62.72 -38.94 92.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.289 -0.869 . . . . 2.43 110.895 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' HB2' ' H ' ' A' ' 3' ' ' THR . 47.0 mt-10 -71.94 -40.13 68.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.807 -0.633 . . . . 2.07 112.696 -175.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' HB ' HG23 ' A' ' 73' ' ' THR . 97.9 mt -64.47 -48.25 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.338 -0.545 . . . . 0.25 109.561 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.79 -57.63 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 123.958 0.786 . . . . 0.2 111.09 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.19 71.28 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.668 0.247 . . . . 0.28 111.668 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.81 -46.16 47.52 Favored Glycine 0 CA--C 1.491 -1.467 0 N-CA-C 110.798 -0.921 . . . . 0.18 110.798 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.9 mt -62.26 -47.12 85.78 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 108.452 -0.944 . . . . 0.26 108.452 175.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.02 -49.39 71.66 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 115.221 -0.899 . . . . 0.15 112.585 -178.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.12 -29.2 69.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.157 0.435 . . . . 0.76 112.144 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.715 HG21 ' HA ' ' A' ' 46' ' ' VAL . 43.4 mt -75.66 -47.88 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 N-CA-C 108.906 -0.775 . . . . 0.25 108.906 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.653 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.5 t -53.07 -43.24 47.8 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 C-N-CA 123.794 0.837 . . . . 0.2 109.595 175.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.572 HD21 ' N ' ' A' ' 23' ' ' VAL . 7.3 m-80 -52.23 -36.93 53.68 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.733 1.213 . . . . 0.85 112.579 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -78.59 -47.29 17.46 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.422 -0.354 . . . . 2.35 111.549 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.9 mt -91.89 -55.01 6.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 C-N-CA 119.17 -1.012 . . . . 0.28 111.82 -173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.64 -46.17 17.7 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.504 -0.479 . . . . 0.44 111.625 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.31 17.54 17.48 Favored Glycine 0 N--CA 1.435 -1.378 0 C-N-CA 120.697 -0.763 . . . . 0.27 112.508 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.72 HG21 HD13 ' A' ' 36' ' ' LEU . 37.8 mm -81.81 117.87 69.96 Favored Pre-proline 0 CA--C 1.492 -1.284 0 N-CA-C 107.951 -1.129 . . . . 0.25 107.951 175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.508 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 38.8 Cg_exo -58.88 156.41 33.36 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 123.43 2.753 . . . . 0.33 113.793 -175.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.572 ' N ' HD21 ' A' ' 16' ' ' ASN . 27.2 m -57.09 -33.95 44.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 114.641 -1.163 . . . . 0.9 113.753 -171.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -99.97 -0.59 39.07 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 119.173 -1.011 . . . . 2.99 112.882 -177.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -85.68 -32.17 22.11 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.171 -1.411 . . . . 0.71 108.016 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG22 HD13 ' A' ' 36' ' ' LEU . 72.0 t -63.7 97.54 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 114.677 -1.147 . . . . 0.19 109.287 171.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 30' ' ' LYS . 63.4 mttm -118.18 162.23 18.57 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.495 -1.668 . . . . 2.03 106.495 174.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -62.91 -33.49 75.43 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 115.101 1.519 . . . . 1.2 115.101 -167.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -97.75 17.66 17.46 Favored 'General case' 0 C--N 1.287 -2.129 0 CA-C-O 123.209 1.481 . . . . 2.12 109.17 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HD2' ' CG ' ' A' ' 35' ' ' ASP . 18.7 mmtp -93.86 113.22 25.2 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 106.323 -1.732 . . . . 1.38 106.323 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.921 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.0 m -70.32 107.0 3.56 Favored 'General case' 0 C--N 1.26 -3.293 0 N-CA-C 106.628 -1.619 . . . . 1.23 106.628 174.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.669 ' CE2' HG22 ' A' ' 69' ' ' VAL . 45.0 m-85 -39.28 -61.86 0.73 Allowed 'General case' 0 C--O 1.24 0.589 0 C-N-CA 122.904 0.482 . . . . 0.28 111.969 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.9 p -75.6 45.26 0.31 Allowed 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 124.843 1.257 . . . . 1.39 113.908 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.921 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 8.3 t70 -173.87 -55.44 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.26 0 CA-C-O 121.504 0.668 . . . . 0.59 111.46 -176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.549 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 12.8 t70 -83.66 -62.75 1.5 Allowed 'General case' 0 CA--C 1.481 -1.701 0 CA-C-N 115.113 -0.949 . . . . 1.31 111.127 -175.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.72 HD13 HG21 ' A' ' 21' ' ' ILE . 79.6 mt -64.97 -79.2 0.04 OUTLIER 'General case' 0 N--CA 1.425 -1.709 0 CA-C-N 113.631 -1.622 . . . . 0.41 111.139 -173.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 17.0 t0 137.28 65.53 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 127.782 2.433 . . . . 1.24 105.944 179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG13 ' H ' ' A' ' 40' ' ' SER . 3.9 p -87.96 171.72 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.359 0 C-N-CA 118.398 -1.321 . . . . 0.79 108.315 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 38' ' ' VAL . 23.2 t70 -96.2 -13.2 23.67 Favored 'General case' 0 C--N 1.282 -2.351 0 N-CA-C 109.475 -0.565 . . . . 2.28 109.475 -176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.467 ' H ' HG13 ' A' ' 38' ' ' VAL . 1.2 t 65.84 -33.58 0.18 Allowed 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.704 1.602 . . . . 0.75 111.591 -177.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' H ' ' C ' ' A' ' 39' ' ' ASP . 38.5 mt -83.42 -21.66 32.9 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 105.843 -1.91 . . . . 0.86 105.843 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.57 ' O ' HG23 ' A' ' 46' ' ' VAL . 24.9 p -64.5 -35.07 79.75 Favored 'General case' 0 N--CA 1.401 -2.876 0 CA-C-N 113.49 -1.686 . . . . 0.71 108.139 173.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.59 ' O ' HG23 ' A' ' 47' ' ' VAL . 20.3 tpp -65.33 -31.67 72.92 Favored 'General case' 0 C--O 1.182 -2.484 0 CA-C-N 115.412 -0.813 . . . . 0.42 109.796 -172.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 96.7 t -56.98 -46.16 83.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.562 0.696 . . . . 0.49 109.709 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HB2' HD13 ' A' ' 18' ' ' ILE . 40.8 mt-10 -81.71 -28.49 33.42 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.854 -0.612 . . . . 1.85 110.067 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.715 ' HA ' HG21 ' A' ' 14' ' ' ILE . 99.4 t -63.16 -31.52 52.98 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.285 0 N-CA-C 108.724 -0.843 . . . . 0.3 108.724 174.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.809 HG22 HG21 ' A' ' 63' ' ' VAL . 24.5 t -62.04 -63.83 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 C-N-CA 124.98 1.312 . . . . 1.49 110.405 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 79.2 t -57.54 -29.8 34.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 O-C-N 123.351 0.407 . . . . 0.84 111.07 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.76 -44.54 49.15 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.658 -0.701 . . . . 0.25 109.841 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.606 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -65.91 -42.48 90.12 Favored 'General case' 0 CA--C 1.513 -0.453 0 C-N-CA 123.629 0.772 . . . . 0.21 111.447 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.654 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 60.0 mt-10 -59.22 -42.43 90.97 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.146 -0.687 . . . . 0.73 109.146 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -75.21 -27.55 59.62 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.709 -1.132 . . . . 2.46 111.922 -175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.606 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.7 ptp180 -88.84 -38.7 14.4 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 119.631 -0.827 . . . . 1.72 112.49 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 29.7 m-85 -89.32 -19.76 24.88 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 113.029 0.751 . . . . 0.34 113.029 -174.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.0 t70 67.37 15.52 9.92 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-O 122.731 1.253 . . . . 1.56 110.317 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.563 HG11 ' HA ' ' A' ' 76' ' ' ILE . 53.7 t -96.6 -51.75 10.17 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.232 0 CA-C-N 115.371 -0.832 . . . . 1.16 109.822 -178.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.654 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 37.8 ttmt 77.68 112.66 0.07 Allowed 'General case' 0 C--N 1.322 -0.629 0 O-C-N 125.227 1.58 . . . . 1.48 111.656 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.737 HG21 HD11 ' A' ' 66' ' ' LEU . 0.6 OUTLIER -130.17 92.4 36.23 Favored Pre-proline 0 CA--C 1.489 -1.397 0 N-CA-C 104.998 -2.223 . . . . 0.52 104.998 179.387 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.28 143.26 86.25 Favored 'Trans proline' 0 C--N 1.323 -0.799 0 C-N-CA 122.301 2.001 . . . . 0.41 110.172 178.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.3 p30 -50.39 -37.86 39.75 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 112.863 0.69 . . . . 0.95 112.863 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -61.15 -29.38 69.75 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.415 0.626 . . . . 1.16 111.392 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.41 -37.94 15.46 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.028 -1.471 . . . . 1.58 107.028 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.809 HG21 HG22 ' A' ' 47' ' ' VAL . 5.0 t -50.67 -38.95 17.49 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 C-N-CA 126.035 1.734 . . . . 0.73 112.407 176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.717 ' HB3' H37A ' A' ' 101' ' ' SXH . 59.1 pttt -69.41 -6.84 32.69 Favored 'General case' 0 C--N 1.309 -1.157 0 C-N-CA 119.952 -0.699 . . . . 0.87 112.863 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -96.71 -0.33 48.47 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 109.088 -0.708 . . . . 1.09 109.088 176.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.746 ' HB2' ' H2 ' ' A' ' 101' ' ' SXH . 44.5 mt -86.5 -58.22 2.7 Favored 'General case' 0 CA--C 1.485 -1.55 0 N-CA-C 108.067 -1.086 . . . . 0.89 108.067 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 66.26 -35.95 0.24 Allowed 'General case' 0 C--N 1.263 -3.168 0 CA-C-N 113.486 -1.688 . . . . 2.81 114.089 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 18.2 p -108.77 169.49 8.63 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-O 120.977 0.418 . . . . 0.34 111.08 177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.718 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 55.7 t -69.21 -46.4 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.208 0 CA-C-N 115.469 -0.787 . . . . 0.18 109.982 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.471 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -70.88 -23.75 77.69 Favored Glycine 0 CA--C 1.473 -2.549 0 CA-C-N 115.144 -0.934 . . . . 0.2 112.811 -175.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 5.3 t70 -71.91 -42.51 66.64 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 107.087 -1.449 . . . . 0.62 107.087 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.96 -54.53 40.49 Favored 'General case' 0 CA--C 1.492 -1.267 0 CA-C-N 114.452 -1.249 . . . . 0.21 108.208 176.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.61 HG23 ' HB ' ' A' ' 7' ' ' ILE . 36.6 m -57.6 -25.47 60.1 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.246 -0.888 . . . . 0.28 111.924 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.3 tppt? -72.98 -52.95 12.52 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 108.182 -1.044 . . . . 2.01 108.182 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.548 ' CE2' HG23 ' A' ' 58' ' ' ILE . 43.2 t80 -62.44 -47.83 82.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 114.987 -1.006 . . . . 0.56 110.778 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.563 ' HA ' HG11 ' A' ' 56' ' ' VAL . 60.6 mt -66.69 -37.04 78.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 CA-C-N 115.342 -0.844 . . . . 0.32 111.738 -175.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.531 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 tt -75.97 -45.33 35.39 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.368 0.604 . . . . 0.92 109.376 -177.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -62.18 -32.55 73.2 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.196 -0.911 . . . . 0.68 111.442 -179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -100.32 5.67 44.51 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.493 -0.776 . . . . 0.79 113.081 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 71.5 mm-40 -49.44 118.5 2.78 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 112.796 0.665 . . . . 1.07 112.796 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.434 0 O-C-N 124.395 1.059 . . . . 2.75 112.011 175.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.746 ' H2 ' ' HB2' ' A' ' 66' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.675 0 CA-C-O 121.158 0.504 . . . . 1.43 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.88 169.7 17.83 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.669 -0.696 . . . . 0.87 109.964 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.739 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 32.1 p -123.02 -162.25 1.01 Allowed 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.941 -0.763 . . . . 0.82 108.941 -174.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -60.76 -57.02 14.44 Favored 'General case' 0 C--O 1.216 -0.665 0 CA-C-N 118.218 0.463 . . . . 1.24 110.95 -176.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -75.05 -26.7 59.63 Favored 'General case' 0 C--N 1.311 -1.08 0 C-N-CA 120.468 -0.493 . . . . 2.43 111.237 -176.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.739 ' HB2' ' H ' ' A' ' 3' ' ' THR . 0.5 OUTLIER -69.28 -47.26 65.12 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 112.49 0.552 . . . . 2.07 112.49 -179.786 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.632 HG21 ' HA ' ' A' ' 73' ' ' THR . 96.2 mt -60.14 -48.42 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.317 -0.623 . . . . 0.25 109.317 173.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 4' ' ' GLN . 69.1 t -51.93 -58.48 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 124.095 0.872 . . . . 0.2 111.484 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.62 -32.21 71.37 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.034 0.383 . . . . 0.28 112.034 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.16 -44.32 35.91 Favored Glycine 0 N--CA 1.432 -1.57 0 N-CA-C 110.73 -0.948 . . . . 0.18 110.73 -178.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 86.0 mt -62.93 -46.65 86.8 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 108.522 -0.918 . . . . 0.26 108.522 176.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.17 -49.72 71.15 Favored 'General case' 0 C--O 1.203 -1.367 0 CA-C-N 114.839 -1.073 . . . . 0.15 112.531 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -60.53 -27.9 68.0 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 117.991 0.359 . . . . 0.76 111.966 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.87 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.7 mt -73.38 -53.17 18.87 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 108.595 -0.891 . . . . 0.25 108.595 174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 11' ' ' LEU . 46.7 t -51.1 -40.62 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.826 1.25 . . . . 0.2 110.426 175.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -49.28 -45.37 44.95 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 124.153 0.981 . . . . 0.85 110.898 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -78.09 -41.79 34.11 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 113.136 0.791 . . . . 2.35 113.136 -176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 45' ' ' GLU . 4.0 mt -92.65 -54.95 6.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 C-N-CA 118.108 -1.437 . . . . 0.28 111.53 -174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HA ' ' OD2' ' A' ' 39' ' ' ASP . . . -81.41 -36.23 29.76 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.219 0.533 . . . . 0.44 110.919 -178.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.72 13.46 53.32 Favored Glycine 0 N--CA 1.422 -2.282 0 C-N-CA 120.303 -0.951 . . . . 0.27 112.107 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 36' ' ' LEU . 37.3 mm -79.35 121.69 83.18 Favored Pre-proline 0 N--CA 1.433 -1.31 0 N-CA-C 107.434 -1.321 . . . . 0.25 107.434 177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.04 157.08 45.91 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 122.646 2.23 . . . . 0.33 112.355 -177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 11.3 p -72.28 -15.33 17.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.283 -0.871 . . . . 0.9 109.261 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.81 -30.48 51.21 Favored 'General case' 0 N--CA 1.429 -1.522 0 CA-C-N 114.817 -1.083 . . . . 2.99 109.462 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 19.2 t0 -90.41 -37.55 13.89 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 119.66 -0.816 . . . . 0.71 111.594 -173.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 77.7 t -61.9 100.28 0.15 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-O 121.33 0.586 . . . . 0.19 110.366 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -129.61 166.54 19.54 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 115.016 -0.993 . . . . 2.03 108.342 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.474 HD12 ' HA2' ' A' ' 70' ' ' GLY . 4.1 tp -54.13 -35.31 62.05 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.614 1.565 . . . . 1.2 113.481 -172.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -88.23 -0.61 57.31 Favored 'General case' 0 C--N 1.3 -1.584 0 C-N-CA 124.297 1.039 . . . . 2.12 110.923 -173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 69' ' ' VAL . 19.8 mmtp -95.4 114.94 26.76 Favored 'General case' 0 N--CA 1.401 -2.897 0 C-N-CA 119.669 -0.813 . . . . 1.38 110.97 -169.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 30.3 t -76.08 106.52 7.73 Favored 'General case' 0 C--N 1.257 -3.442 0 N-CA-C 107.194 -1.41 . . . . 1.23 107.194 171.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.6 ' CE2' HG22 ' A' ' 69' ' ' VAL . 66.4 m-85 -37.25 -62.97 0.47 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.182 1.179 . . . . 0.28 114.182 176.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 m -80.77 41.13 0.55 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.77 1.228 . . . . 1.39 111.461 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 21.3 t70 -165.05 -60.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.844 -0.535 . . . . 0.59 111.653 -178.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.3 t70 -81.15 -54.22 5.71 Favored 'General case' 0 CA--C 1.491 -1.314 0 C-N-CA 124.087 0.955 . . . . 1.31 110.899 -176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 21' ' ' ILE . 78.5 mt -74.55 -76.61 0.13 Allowed 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 113.602 -1.636 . . . . 0.41 110.23 -174.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 33.7 t70 127.62 72.54 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 129.366 3.066 . . . . 1.24 109.984 176.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG13 ' H ' ' A' ' 40' ' ' SER . 9.9 p -87.03 157.7 3.2 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.119 0 N-CA-C 106.036 -1.839 . . . . 0.79 106.036 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 19' ' ' ALA . 3.2 m-20 -89.17 4.18 49.44 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 109.024 -0.732 . . . . 2.28 109.024 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.481 ' H ' HG13 ' A' ' 38' ' ' VAL . 98.9 p 60.88 -19.05 0.03 OUTLIER 'General case' 0 CA--C 1.567 1.634 0 C-N-CA 126.758 2.023 . . . . 0.75 113.433 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 39' ' ' ASP . 76.8 mt -86.63 -29.89 22.2 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.966 -1.494 . . . . 0.86 106.966 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -67.78 -32.84 73.7 Favored 'General case' 0 N--CA 1.405 -2.691 0 CA-C-N 114.436 -1.256 . . . . 0.71 107.802 175.269 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.696 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 52.2 tpp -56.69 -41.39 77.24 Favored 'General case' 0 C--O 1.2 -1.507 0 CA-C-N 114.387 -1.279 . . . . 0.42 111.098 -177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.2 t -65.38 -36.13 76.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-O 121.259 0.552 . . . . 0.49 110.977 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.549 ' HB2' HD13 ' A' ' 18' ' ' ILE . 45.2 mt-10 -78.9 -33.02 45.94 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 109.826 -0.435 . . . . 1.85 109.826 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.87 ' HA ' HG21 ' A' ' 14' ' ' ILE . 91.5 t -62.18 -34.86 65.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 108.369 -0.975 . . . . 0.3 108.369 175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.636 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.5 t -62.14 -63.36 0.83 Allowed 'Isoleucine or valine' 0 C--O 1.205 -1.241 0 C-N-CA 125.148 1.379 . . . . 1.49 110.007 177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.498 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 77.7 t -57.2 -32.47 40.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-O 120.946 0.403 . . . . 0.84 111.418 -177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -72.48 -40.99 66.5 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.245 0.545 . . . . 0.25 110.012 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.83 -39.99 87.85 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 122.593 0.357 . . . . 0.21 110.621 177.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.691 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 76.1 mt-10 -60.41 -37.61 81.4 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 108.629 -0.878 . . . . 0.73 108.629 178.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.83 -48.66 24.02 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 114.353 -1.294 . . . . 2.46 111.047 -175.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 13.5 ptm180 -79.73 -31.0 41.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.713 -0.676 . . . . 1.72 111.976 -173.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 48.5 m-85 -96.72 -15.37 21.44 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 116.395 -0.366 . . . . 0.34 111.81 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.0 t70 70.42 -9.65 0.76 Allowed 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 125.13 1.372 . . . . 1.56 111.005 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.613 HG11 ' HA ' ' A' ' 76' ' ' ILE . 43.3 t -67.71 -45.53 84.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 CA-C-N 115.337 -0.847 . . . . 1.16 110.521 -170.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.691 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 39.7 ttmt 66.44 104.2 0.04 OUTLIER 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.222 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -125.79 92.05 47.13 Favored Pre-proline 0 CA--C 1.472 -2.053 0 N-CA-C 105.4 -2.074 . . . . 0.52 105.4 176.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.88 147.84 49.59 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 121.916 1.744 . . . . 0.41 109.743 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.556 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.1 p-10 -59.94 -14.88 17.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.281 0.562 . . . . 0.95 112.241 -178.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.542 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 9.6 t70 -69.44 -41.79 75.81 Favored 'General case' 0 C--O 1.2 -1.514 0 CA-C-N 115.668 -0.696 . . . . 1.16 109.917 173.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -87.27 -30.16 21.1 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 109.064 -0.717 . . . . 1.58 109.064 -177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.663 HG13 ' S1 ' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -57.8 -20.5 14.51 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.086 0 CA-C-N 113.953 -1.476 . . . . 0.73 112.227 179.259 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.542 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 19.6 ptpt -58.48 -31.38 67.78 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.668 0.746 . . . . 0.87 110.234 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -79.88 0.17 32.29 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 114.62 -1.173 . . . . 1.09 109.933 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.868 HD13 ' HA ' ' A' ' 72' ' ' ALA . 50.2 mt -118.56 39.65 3.42 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-N 115.679 -0.691 . . . . 0.89 109.686 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.01 -27.26 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 115.972 1.841 . . . . 2.81 115.972 175.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.641 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 46.5 p -114.46 166.21 11.93 Favored 'General case' 0 N--CA 1.435 -1.203 0 O-C-N 121.078 -1.014 . . . . 0.34 112.267 177.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' CE2' ' A' ' 32' ' ' PHE . 22.8 t -60.09 -48.9 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 109.542 -0.54 . . . . 0.18 109.542 176.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.474 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -65.22 -27.0 71.87 Favored Glycine 0 N--CA 1.424 -2.129 0 CA-C-N 115.43 -0.805 . . . . 0.2 112.842 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.478 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t0 -70.21 -46.87 63.66 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.464 -1.31 . . . . 0.62 107.464 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.868 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.07 -50.2 74.28 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 115.065 -0.97 . . . . 0.21 109.489 175.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.632 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.6 m -53.27 -34.44 57.28 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 123.99 0.916 . . . . 0.28 110.91 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 3.1 tmmm? -66.54 -52.04 49.99 Favored 'General case' 0 N--CA 1.434 -1.256 0 C-N-CA 123.244 0.618 . . . . 2.01 109.454 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -63.81 -49.11 74.17 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 115.514 -0.766 . . . . 0.56 110.204 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.613 ' HA ' HG11 ' A' ' 56' ' ' VAL . 55.1 mt -64.17 -39.33 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.85 0 CA-C-N 114.714 -1.13 . . . . 0.32 111.171 -175.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 5.4 tt -71.57 -40.49 69.92 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 108.967 -0.753 . . . . 0.92 108.967 -178.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.53 -30.96 71.78 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 121.667 0.746 . . . . 0.68 111.22 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -102.47 6.23 39.96 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.167 -0.924 . . . . 0.79 112.902 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.663 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 55.8 mm-40 -51.97 157.58 1.24 Allowed 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.677 1.362 . . . . 1.07 114.677 -176.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.597 0 CA-C-N 114.051 -1.431 . . . . 2.75 107.285 176.263 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.766 ' H4 ' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.914 -0.773 . . . . 1.43 108.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.05 -162.4 1.15 Allowed 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.59 -0.892 . . . . 0.87 108.59 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.49 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 29.4 p -130.21 -172.49 2.8 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.876 -1.157 . . . . 0.82 107.876 178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.31 -49.87 67.82 Favored 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 107.919 -1.141 . . . . 1.24 107.919 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -58.34 -48.32 80.95 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.784 -0.644 . . . . 2.43 111.181 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.8 mt-10 -64.45 -45.69 86.34 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.082 1.142 . . . . 2.07 114.082 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 HG21 ' HA ' ' A' ' 73' ' ' THR . 79.4 mt -58.59 -50.56 78.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.313 -0.555 . . . . 0.25 109.883 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.457 HG13 HG12 ' A' ' 26' ' ' VAL . 64.5 t -54.96 -54.56 22.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.098 -0.955 . . . . 0.2 111.293 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.02 -32.0 72.44 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 122.483 0.313 . . . . 0.28 111.536 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.94 -41.02 62.49 Favored Glycine 0 C--O 1.204 -1.739 0 N-CA-C 110.741 -0.944 . . . . 0.18 110.741 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 15' ' ' VAL . 84.9 mt -67.68 -48.55 66.28 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.262 -1.014 . . . . 0.26 108.262 175.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.692 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.43 -47.81 75.42 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-N 114.75 -1.114 . . . . 0.15 112.746 -176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -58.97 -29.07 66.91 Favored 'General case' 0 CA--C 1.516 -0.365 0 O-C-N 123.308 0.38 . . . . 0.76 111.282 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.755 HG21 ' HA ' ' A' ' 46' ' ' VAL . 55.9 mt -76.14 -51.49 19.9 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.312 0 N-CA-C 109.153 -0.684 . . . . 0.25 109.153 176.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 11' ' ' LEU . 21.6 t -51.66 -40.81 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 124.22 1.008 . . . . 0.2 109.994 176.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.421 HD21 ' N ' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -46.03 -47.38 16.93 Favored 'General case' 0 N--CA 1.49 1.574 0 C-N-CA 124.653 1.181 . . . . 0.85 111.592 175.364 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -72.65 -46.9 51.64 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.454 -0.793 . . . . 2.35 111.901 -173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.527 HD12 HG23 ' A' ' 46' ' ' VAL . 22.4 mt -86.79 -55.19 6.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 119.325 -0.95 . . . . 0.28 111.748 -172.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' HG23 ' A' ' 38' ' ' VAL . . . -94.22 -25.67 16.97 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.018 0.747 . . . . 0.44 113.018 -177.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.46 14.81 58.05 Favored Glycine 0 C--N 1.303 -1.302 0 C-N-CA 119.752 -1.214 . . . . 0.27 113.233 178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.68 HG21 HD13 ' A' ' 36' ' ' LEU . 31.7 mm -75.7 117.19 61.74 Favored Pre-proline 0 N--CA 1.439 -1.012 0 N-CA-C 107.221 -1.4 . . . . 0.25 107.221 175.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -63.69 154.65 67.99 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.775 2.317 . . . . 0.33 113.255 -175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.4 m -64.22 -19.99 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-O 121.278 0.561 . . . . 0.9 111.645 -178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -92.61 -15.41 26.9 Favored 'General case' 0 N--CA 1.434 -1.231 0 CA-C-N 115.518 -0.765 . . . . 2.99 111.36 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 30' ' ' LYS . 23.5 t70 -90.15 -36.41 14.83 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.715 -1.217 . . . . 0.71 107.715 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 8' ' ' VAL . 96.0 t -62.24 92.84 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 115.207 -0.906 . . . . 0.19 110.143 174.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.683 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 73.7 mmtt -118.55 165.42 13.95 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.126 -1.435 . . . . 2.03 107.126 175.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.806 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.4 pt? -63.7 -35.32 80.16 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 115.416 1.636 . . . . 1.2 115.416 -166.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.85 10.47 15.98 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.089 -1.045 . . . . 2.12 111.311 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.683 ' HD3' ' HB2' ' A' ' 27' ' ' LYS . 4.2 mptp? -90.16 91.88 8.72 Favored 'General case' 0 N--CA 1.393 -3.318 0 N-CA-C 108.135 -1.061 . . . . 1.38 108.135 -177.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 33.5 t -58.72 108.98 0.72 Allowed 'General case' 0 C--N 1.286 -2.164 0 N-CA-C 106.933 -1.506 . . . . 1.23 106.933 173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.852 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.1 m-85 -38.19 -54.61 1.37 Allowed 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 115.067 1.506 . . . . 0.28 115.067 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.699 HG21 ' HB3' ' A' ' 40' ' ' SER . 6.9 p -92.18 31.22 1.31 Allowed 'General case' 0 C--O 1.245 0.861 0 N-CA-C 113.954 1.094 . . . . 1.39 113.954 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 32.1 t70 -146.52 -47.69 0.19 Allowed 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 112.205 0.446 . . . . 0.59 112.205 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.481 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 9.5 t70 -92.46 -51.68 5.02 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-O 121.736 0.779 . . . . 1.31 109.817 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD13 HG21 ' A' ' 21' ' ' ILE . 81.8 mt -73.06 -65.82 0.75 Allowed 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 114.31 -1.313 . . . . 0.41 111.5 -175.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU 0.329 3.8 m-20 105.11 57.99 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 127.73 2.412 . . . . 1.24 113.379 179.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 32' ' ' PHE . 11.0 p -81.35 154.85 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 N-CA-C 106.281 -1.748 . . . . 0.79 106.281 174.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 11.9 m-20 -77.97 3.95 13.4 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 118.02 0.373 . . . . 2.28 111.556 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.699 ' HB3' HG21 ' A' ' 33' ' ' THR . 52.2 p 65.56 -33.69 0.17 Allowed 'General case' 0 C--O 1.204 -1.309 0 C-N-CA 127.18 2.192 . . . . 0.75 112.764 -174.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' H ' ' C ' ' A' ' 39' ' ' ASP . 65.7 mt -67.73 -30.4 69.88 Favored 'General case' 0 CA--C 1.494 -1.207 0 N-CA-C 108.292 -1.003 . . . . 0.86 108.292 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' HG23 ' A' ' 46' ' ' VAL . 3.9 m -59.26 -36.03 74.78 Favored 'General case' 0 N--CA 1.402 -2.862 0 CA-C-N 113.823 -1.535 . . . . 0.71 108.655 178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.649 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 31.3 tpp -65.43 -24.3 67.16 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-N 115.25 -0.886 . . . . 0.42 111.618 -170.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.434 HG23 ' O33' ' A' ' 101' ' ' SXH . 89.3 t -62.72 -58.95 5.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 107.536 -1.283 . . . . 0.49 107.536 174.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 62.0 mm-40 -63.93 -35.52 80.95 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 115.876 -0.602 . . . . 1.85 110.589 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.755 ' HA ' HG21 ' A' ' 14' ' ' ILE . 72.0 t -62.39 -47.81 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 O-C-N 123.463 0.477 . . . . 0.3 110.333 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.685 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 13.8 t -82.67 -30.5 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.482 0 C-N-CA 119.009 -1.076 . . . . 1.49 111.315 -174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 75.1 t -63.69 -30.42 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-O 122.143 0.973 . . . . 0.84 109.53 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -73.67 -42.39 61.39 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 108.146 -1.057 . . . . 0.25 108.146 175.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.66 -38.24 89.55 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 115.211 -0.904 . . . . 0.21 111.59 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.685 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 54.8 mt-10 -57.23 -44.61 83.94 Favored 'General case' 0 CA--C 1.492 -1.261 0 C-N-CA 124.032 0.933 . . . . 0.73 109.92 179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -78.5 -38.81 39.92 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.926 -1.488 . . . . 2.46 111.332 -173.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.8 ptm180 -81.88 -34.01 30.24 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.511 -0.476 . . . . 1.72 111.58 -176.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.514 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.5 m-85 -93.43 -12.8 28.98 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 111.884 0.327 . . . . 0.34 111.884 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.7 t70 60.26 18.08 7.61 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 125.331 1.453 . . . . 1.56 110.184 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.583 HG21 ' HA ' ' A' ' 76' ' ' ILE . 7.7 p -92.7 -44.1 13.89 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.551 -1.204 . . . . 1.16 110.339 -176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.656 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 18.8 ttmm 66.39 103.91 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.34 1.237 . . . . 1.48 114.34 -177.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.668 HD11 HG12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -118.33 110.63 39.11 Favored Pre-proline 0 CA--C 1.504 -0.814 0 N-CA-C 105.311 -2.107 . . . . 0.52 105.311 171.068 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.77 141.12 64.35 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 N-CA-C 108.155 -1.517 . . . . 0.41 108.155 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 2.6 p30 -50.92 -22.03 2.03 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.676 0.671 . . . . 0.95 112.361 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -72.56 -29.77 63.83 Favored 'General case' 0 C--N 1.312 -1.048 0 C-N-CA 122.721 0.408 . . . . 1.16 111.034 178.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -87.3 -29.34 21.67 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 108.059 -1.089 . . . . 1.58 108.059 178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.627 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 25.4 t -49.75 -22.87 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 126.197 1.799 . . . . 0.73 112.687 176.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.9 ptpt -69.22 -23.89 63.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.242 0.544 . . . . 0.87 111.366 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -79.34 -17.99 53.41 Favored 'General case' 0 CA--C 1.488 -1.416 0 N-CA-C 108.583 -0.895 . . . . 1.09 108.583 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.3 mt -101.12 35.05 2.33 Favored 'General case' 0 CA--C 1.469 -2.143 0 CA-C-N 115.178 -0.919 . . . . 0.89 110.558 -173.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.896 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 51.4 mtpt -72.86 65.92 0.75 Allowed 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.617 0.969 . . . . 2.81 113.617 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 1.3 p 173.05 147.91 0.05 Allowed 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 130.526 3.53 . . . . 0.34 108.157 171.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.852 HG22 ' CE2' ' A' ' 32' ' ' PHE . 21.3 t -60.5 -38.99 79.83 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 CA-C-O 121.434 0.635 . . . . 0.18 110.403 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.658 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.48 -32.33 83.07 Favored Glycine 0 CA--C 1.482 -2.015 0 CA-C-N 115.181 -0.918 . . . . 0.2 112.79 -179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.508 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.1 t70 -73.56 -40.84 63.63 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 107.255 -1.387 . . . . 0.62 107.255 -177.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.675 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.32 -53.88 53.3 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 114.841 -1.072 . . . . 0.21 109.031 177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.6 m -58.39 -32.6 68.76 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.026 -0.988 . . . . 0.28 111.052 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 tppt? -68.98 -44.01 73.77 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 123.504 0.722 . . . . 2.01 109.177 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.47 ' HE2' HG13 ' A' ' 58' ' ' ILE . 85.0 t80 -71.55 -48.12 50.66 Favored 'General case' 0 N--CA 1.428 -1.562 0 CA-C-N 115.276 -0.875 . . . . 0.56 109.736 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 58' ' ' ILE . 78.1 mt -57.47 -65.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.819 0 CA-C-N 114.6 -1.182 . . . . 0.32 111.42 -178.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 16.9 tp -47.95 -40.86 23.45 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.352 1.061 . . . . 0.92 112.237 -173.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -74.87 -27.46 60.26 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.766 -0.652 . . . . 0.68 111.989 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -102.07 5.38 40.49 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.334 0.653 . . . . 0.79 112.074 -177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HG3' ' HA ' ' A' ' 77' ' ' LEU . 36.9 mt-30 -69.59 159.64 33.02 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.583 0.957 . . . . 1.07 113.583 -174.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.039 0 N-CA-C 107.008 -1.478 . . . . 2.75 107.008 175.382 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.896 ' S1 ' ' HG2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.798 0.333 . . . . 1.43 110.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.3 -176.6 3.45 Favored 'General case' 0 C--N 1.309 -1.182 0 C-N-CA 124.225 1.01 . . . . 0.87 110.221 179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.752 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 22.3 p -138.55 -170.41 2.82 Favored 'General case' 0 N--CA 1.436 -1.152 0 N-CA-C 107.629 -1.249 . . . . 0.82 107.629 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -56.39 21.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 118.232 0.469 . . . . 1.24 110.373 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -68.13 -28.31 67.2 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.68 0.252 . . . . 2.43 111.68 -177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.752 ' HB2' ' H ' ' A' ' 3' ' ' THR . 43.4 mt-10 -70.16 -49.53 49.52 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 112.718 0.636 . . . . 2.07 112.718 -179.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.687 HG21 ' HA ' ' A' ' 73' ' ' THR . 89.7 mt -55.88 -50.03 71.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.446 0 N-CA-C 109.56 -0.533 . . . . 0.25 109.56 175.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 26' ' ' VAL . 75.2 t -54.28 -56.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 114.916 -1.038 . . . . 0.2 111.367 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.39 -32.0 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.232 0.456 . . . . 0.28 112.232 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.28 -42.28 66.38 Favored Glycine 0 C--O 1.206 -1.594 0 N-CA-C 110.572 -1.011 . . . . 0.18 110.572 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.586 ' O ' HG23 ' A' ' 15' ' ' VAL . 75.7 mt -67.11 -47.14 72.07 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.27 -1.011 . . . . 0.26 108.27 175.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.37 -48.87 73.61 Favored 'General case' 0 CA--C 1.496 -1.103 0 CA-C-N 114.795 -1.093 . . . . 0.15 112.908 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 11.3 pt-20 -59.37 -33.03 70.68 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 118.045 0.384 . . . . 0.76 111.331 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.748 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.4 mt -76.13 -43.77 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 121.189 0.518 . . . . 0.25 110.014 178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.667 HG21 ' CE1' ' A' ' 32' ' ' PHE . 58.2 t -53.33 -43.65 51.78 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 C-N-CA 123.586 0.755 . . . . 0.2 109.202 172.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 12.0 m-80 -54.51 -41.41 69.6 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.611 0.764 . . . . 0.85 111.562 175.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -67.11 -35.85 80.66 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.582 0.586 . . . . 2.35 112.582 -178.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 42' ' ' SER . 11.2 mt -111.96 -55.55 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 118.703 -1.199 . . . . 0.28 111.943 -174.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -75.53 -46.35 32.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.72 0.267 . . . . 0.44 111.72 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.11 22.61 11.6 Favored Glycine 0 N--CA 1.439 -1.113 0 C-N-CA 120.734 -0.746 . . . . 0.27 113.168 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.641 HD11 ' HB3' ' A' ' 37' ' ' ASP . 49.7 mm -88.48 117.14 68.03 Favored Pre-proline 0 CA--C 1.5 -0.977 0 N-CA-C 107.791 -1.189 . . . . 0.25 107.791 175.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.429 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 26.6 Cg_exo -60.99 157.14 40.29 Favored 'Trans proline' 0 C--O 1.247 0.935 0 C-N-CA 122.717 2.278 . . . . 0.33 112.851 -177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.3 m -68.54 -6.43 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.487 -0.779 . . . . 0.9 112.144 -177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -101.69 -7.13 22.92 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 116.203 -0.453 . . . . 2.99 110.432 178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -103.12 -34.39 8.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 C-N-CA 119.012 -1.075 . . . . 0.71 109.805 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG12 HG13 ' A' ' 8' ' ' VAL . 100.0 t -62.83 92.33 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.483 0.659 . . . . 0.19 109.315 171.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -115.09 162.46 16.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 106.284 -1.747 . . . . 2.03 106.284 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.781 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -64.9 -27.6 68.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 114.149 1.166 . . . . 1.2 114.149 -168.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -94.58 11.72 30.01 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-O 122.701 1.239 . . . . 2.12 109.925 -171.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' O ' HG23 ' A' ' 69' ' ' VAL . 24.7 mmmt -101.8 110.04 21.93 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.373 -175.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.4 m -67.68 106.23 2.15 Favored 'General case' 0 C--N 1.276 -2.613 0 N-CA-C 106.783 -1.562 . . . . 1.23 106.783 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.667 ' CE1' HG21 ' A' ' 15' ' ' VAL . 48.8 m-85 -38.74 -57.01 1.26 Allowed 'General case' 0 CA--C 1.554 1.114 0 N-CA-C 113.308 0.855 . . . . 0.28 113.308 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.45 55.81 3.54 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 124.687 1.195 . . . . 1.39 111.0 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.8 t70 177.05 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.766 0.793 . . . . 0.59 109.939 -178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -34.42 51.11 Favored 'General case' 0 CA--C 1.482 -1.673 0 CA-C-N 114.022 -1.445 . . . . 1.31 111.035 -173.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.606 HD13 HG21 ' A' ' 21' ' ' ILE . 77.2 mt -97.55 -93.77 0.23 Allowed 'General case' 0 N--CA 1.414 -2.251 0 CA-C-N 114.872 -1.058 . . . . 0.41 110.017 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.641 ' HB3' HD11 ' A' ' 21' ' ' ILE . 36.7 t70 156.16 70.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 125.989 1.716 . . . . 1.24 109.15 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.431 ' C ' ' H ' ' A' ' 40' ' ' SER . 3.6 p -108.7 133.82 52.57 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.949 0 N-CA-C 106.084 -1.821 . . . . 0.79 106.084 172.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -87.9 24.51 1.76 Allowed 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 121.955 0.883 . . . . 2.28 109.349 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 38' ' ' VAL . 54.0 p 62.2 -33.68 0.1 Allowed 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 128.024 2.53 . . . . 0.75 115.045 178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.67 -22.62 61.64 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.611 0.719 . . . . 0.86 109.907 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.493 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -71.37 -31.08 66.9 Favored 'General case' 0 N--CA 1.398 -3.028 0 CA-C-N 115.065 -0.97 . . . . 0.71 108.886 177.152 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.543 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 42.4 tpp -64.62 -28.66 69.77 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.538 -0.755 . . . . 0.42 111.384 -173.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.6 t -59.03 -57.78 9.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 108.339 -0.986 . . . . 0.49 108.339 176.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' VAL . 45.1 mt-10 -70.99 -22.09 62.22 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.08 -0.964 . . . . 1.85 110.497 -177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.748 ' HA ' HG21 ' A' ' 14' ' ' ILE . 55.2 t -68.59 -55.16 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-O 121.043 0.449 . . . . 0.3 110.519 175.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.661 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 5.2 t -79.97 -27.1 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.247 0 C-N-CA 120.036 -0.666 . . . . 1.49 111.357 -171.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' GLU . 4.8 p -64.08 -29.63 47.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 122.037 0.923 . . . . 0.84 108.898 176.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.632 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.57 -40.1 30.22 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 114.504 -1.226 . . . . 0.25 108.868 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -60.52 -31.35 70.43 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.405 -0.816 . . . . 0.21 111.012 177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.689 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 43.3 mt-10 -67.7 -34.94 77.88 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 109.701 -0.481 . . . . 0.73 109.701 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.87 -39.18 83.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.725 0.774 . . . . 2.46 109.65 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.495 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 15.3 ptp180 -86.68 -43.52 12.54 Favored 'General case' 0 N--CA 1.423 -1.824 0 CA-C-N 115.127 -0.942 . . . . 1.72 112.745 -174.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 36.6 m-85 -86.64 -21.7 26.6 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 112.289 0.477 . . . . 0.34 112.289 -175.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.1 t70 62.76 13.71 6.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 122.812 1.291 . . . . 1.56 111.11 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG21 ' HA ' ' A' ' 76' ' ' ILE . 6.5 p -86.29 -34.14 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.937 -1.029 . . . . 1.16 109.012 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 16.1 ttmm 64.99 97.61 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 114.897 1.443 . . . . 1.48 114.897 175.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.594 HD11 HG12 ' A' ' 76' ' ' ILE . 1.3 mp -121.19 112.96 32.81 Favored Pre-proline 0 CA--C 1.494 -1.211 0 N-CA-C 106.027 -1.842 . . . . 0.52 106.027 175.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' VAL . 55.6 Cg_endo -71.15 150.14 59.24 Favored 'Trans proline' 0 C--N 1.3 -2.015 0 N-CA-C 108.518 -1.378 . . . . 0.41 108.518 174.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.514 ' O ' ' HB ' ' A' ' 63' ' ' VAL . 5.4 p-10 -49.81 -28.06 5.85 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 122.512 0.325 . . . . 0.95 111.279 176.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 23.4 t70 -61.51 -39.99 92.98 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 123.037 0.535 . . . . 1.16 111.237 175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -87.17 -19.76 27.97 Favored 'General case' 0 CA--C 1.487 -1.452 0 CA-C-O 121.745 0.783 . . . . 1.58 110.621 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.687 HG13 ' H4 ' ' A' ' 101' ' ' SXH . 19.1 t -58.99 -23.3 23.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 C-N-CA 125.019 1.327 . . . . 0.73 111.332 176.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.595 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.3 ptpt -70.67 -23.67 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.696 0.76 . . . . 0.87 110.17 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -84.69 1.87 44.42 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.892 -1.049 . . . . 1.09 108.406 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.842 HD13 ' HA ' ' A' ' 72' ' ' ALA . 54.9 mt -128.84 40.04 3.7 Favored 'General case' 0 C--O 1.202 -1.416 0 CA-C-N 115.814 -0.63 . . . . 0.89 109.938 -178.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -49.74 1.8 0.01 OUTLIER 'General case' 0 CA--C 1.572 1.815 0 N-CA-C 116.8 2.148 . . . . 2.81 116.8 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.553 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 3.2 p -131.22 161.72 31.59 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.384 -0.822 . . . . 0.34 110.753 171.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.781 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 45.3 t -59.61 -46.72 92.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.356 0.598 . . . . 0.18 109.463 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -71.15 -16.71 75.27 Favored Glycine 0 C--O 1.205 -1.672 0 CA-C-N 115.343 -0.844 . . . . 0.2 112.717 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.553 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 10.2 t0 -78.53 -44.54 24.08 Favored 'General case' 0 CA--C 1.498 -1.027 0 N-CA-C 106.579 -1.637 . . . . 0.62 106.579 177.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.21 -47.97 83.66 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 114.882 -1.054 . . . . 0.21 108.594 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.687 ' HA ' HG21 ' A' ' 7' ' ' ILE . 53.2 m -61.57 -25.97 67.66 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.259 -0.882 . . . . 0.28 110.68 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 3.6 tppp? -69.03 -58.38 4.17 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 107.059 -1.46 . . . . 2.01 107.059 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.7 t80 -62.83 -44.01 97.27 Favored 'General case' 0 N--CA 1.44 -0.956 0 CA-C-N 114.52 -1.218 . . . . 0.56 111.059 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.594 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -68.83 -39.05 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.642 -0.708 . . . . 0.32 112.79 -177.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.505 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.7 tt -77.57 -41.77 37.65 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.483 -0.932 . . . . 0.92 108.483 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -60.15 -44.19 95.16 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.056 -0.974 . . . . 0.68 110.562 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -81.36 -60.1 2.39 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.1 -0.5 . . . . 0.79 111.77 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 6.5 mm-40 49.86 -170.64 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 115.19 1.552 . . . . 1.07 115.19 -179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.941 0 N-CA-C 107.678 -1.23 . . . . 2.75 107.678 174.844 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.687 ' H4 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 110.027 -0.36 . . . . 1.43 110.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.96 161.32 34.62 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.229 -1.026 . . . . 0.87 108.229 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.753 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.7 p -117.43 -166.51 1.19 Allowed 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 108.758 -0.83 . . . . 0.82 108.758 -176.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 8' ' ' VAL . 1.0 OUTLIER -61.03 -56.57 19.49 Favored 'General case' 0 N--CA 1.441 -0.903 0 O-C-N 123.444 0.465 . . . . 1.24 110.156 -176.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -72.18 -26.16 61.96 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 113.301 0.852 . . . . 2.43 113.301 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.753 ' HB2' ' H ' ' A' ' 3' ' ' THR . 50.4 mt-10 -69.69 -45.1 69.05 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.915 -0.714 . . . . 2.07 110.689 178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 95.5 mt -62.37 -47.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 N-CA-C 109.298 -0.63 . . . . 0.25 109.298 173.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 4' ' ' GLN . 56.0 t -53.83 -57.52 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 O-C-N 123.924 0.765 . . . . 0.2 111.383 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.75 71.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 123.139 0.274 . . . . 0.28 111.408 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -71.05 -43.35 57.27 Favored Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 110.815 -0.914 . . . . 0.18 110.815 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -65.26 -47.76 75.59 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 108.201 -1.037 . . . . 0.26 108.201 175.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.21 -52.37 59.11 Favored 'General case' 0 C--O 1.205 -1.289 0 CA-C-N 115.044 -0.98 . . . . 0.15 112.444 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.06 -31.9 65.68 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 111.973 0.36 . . . . 0.76 111.973 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.771 HG21 ' HA ' ' A' ' 46' ' ' VAL . 44.6 mt -73.25 -50.07 33.75 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 N-CA-C 108.693 -0.854 . . . . 0.25 108.693 176.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.683 HG21 ' HE1' ' A' ' 32' ' ' PHE . 58.3 t -54.93 -38.34 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.507 1.123 . . . . 0.2 110.779 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.11 -45.14 71.78 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.171 0.988 . . . . 0.85 110.753 177.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.12 -49.27 29.3 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.659 -0.7 . . . . 2.35 112.338 -175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.545 HG21 ' HA ' ' A' ' 42' ' ' SER . 7.4 mt -87.71 -54.04 8.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 C-N-CA 119.356 -0.938 . . . . 0.28 111.674 -173.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.53 -49.99 11.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.279 -0.568 . . . . 0.44 111.133 -179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.82 10.42 24.77 Favored Glycine 0 N--CA 1.431 -1.674 0 C-N-CA 120.431 -0.89 . . . . 0.27 112.128 -177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 36' ' ' LEU . 44.8 mm -78.75 120.07 79.57 Favored Pre-proline 0 CA--C 1.496 -1.106 0 N-CA-C 106.607 -1.627 . . . . 0.25 106.607 177.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -64.46 161.1 36.32 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 122.755 2.304 . . . . 0.33 111.921 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 27.7 m -66.59 -19.11 25.19 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 121.618 0.723 . . . . 0.9 109.835 178.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.35 -41.67 63.17 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 114.697 -1.138 . . . . 2.99 110.131 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -78.57 -40.67 34.08 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 116.005 -0.543 . . . . 0.71 110.283 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.436 HG12 HG13 ' A' ' 8' ' ' VAL . 88.7 t -62.29 99.96 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 121.364 0.602 . . . . 0.19 110.483 175.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 34.6 mmtm -125.34 158.34 34.49 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 106.107 -1.812 . . . . 2.03 106.107 173.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.765 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -61.74 -26.45 68.07 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 115.332 1.604 . . . . 1.2 115.332 -169.296 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -101.92 37.53 1.83 Allowed 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.052 1.406 . . . . 2.12 107.535 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.7 mmtm -124.23 109.07 12.94 Favored 'General case' 0 N--CA 1.392 -3.334 0 CA-C-N 114.245 -1.343 . . . . 1.38 108.499 -177.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.674 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 4.4 m -63.39 114.54 3.92 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-N 114.01 -1.45 . . . . 1.23 108.002 174.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.683 ' HE1' HG21 ' A' ' 15' ' ' VAL . 29.6 m-85 -44.38 -64.01 0.77 Allowed 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.941 1.46 . . . . 0.28 114.941 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -84.74 43.66 1.0 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 113.163 0.801 . . . . 1.39 113.163 177.025 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.674 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.6 t70 -167.85 -47.31 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 119.668 -0.813 . . . . 0.59 112.377 -178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.501 ' HB2' ' N ' ' A' ' 31' ' ' SER . 1.8 m-20 -91.35 -38.48 12.59 Favored 'General case' 0 CA--C 1.482 -1.636 0 C-N-CA 123.796 0.838 . . . . 1.31 109.897 178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 21' ' ' ILE . 68.2 mt -88.75 -93.63 0.11 Allowed 'General case' 0 N--CA 1.415 -2.179 0 CA-C-N 114.665 -1.152 . . . . 0.41 109.928 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 15.4 t70 154.43 34.47 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.548 0 C-N-CA 125.444 1.498 . . . . 1.24 107.384 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.554 HG11 ' HB3' ' A' ' 32' ' ' PHE . 1.5 p -64.36 151.5 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 C-N-CA 119.669 -0.813 . . . . 0.79 110.155 -174.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.449 ' C ' ' H ' ' A' ' 41' ' ' LEU . 25.7 t70 -80.13 -6.96 58.63 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 123.36 0.664 . . . . 2.28 109.936 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.49 ' H ' HG13 ' A' ' 38' ' ' VAL . 14.7 p 64.12 -35.0 0.16 Allowed 'General case' 0 C--O 1.197 -1.702 0 C-N-CA 127.314 2.245 . . . . 0.75 112.203 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' H ' ' C ' ' A' ' 39' ' ' ASP . 55.1 mt -78.97 -15.0 58.88 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 106.89 -1.522 . . . . 0.86 106.89 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.582 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.4 p -74.74 -31.56 61.85 Favored 'General case' 1 N--CA 1.377 -4.09 0 CA-C-N 113.08 -1.873 . . . . 0.71 108.133 175.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.747 ' SD ' ' H5 ' ' A' ' 101' ' ' SXH . 41.3 tpp -66.08 -31.57 72.52 Favored 'General case' 0 C--O 1.191 -1.974 0 CA-C-N 115.676 -0.693 . . . . 0.42 110.808 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.92 -51.9 48.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 CA-C-O 121.695 0.759 . . . . 0.49 109.322 175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.507 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 34.3 mm-40 -74.88 -32.32 61.82 Favored 'General case' 0 N--CA 1.433 -1.303 0 CA-C-N 115.433 -0.803 . . . . 1.85 109.559 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.771 ' HA ' HG21 ' A' ' 14' ' ' ILE . 64.8 t -63.57 -35.92 74.45 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 N-CA-C 109.077 -0.712 . . . . 0.3 109.077 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.1 t -61.62 -63.5 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.241 0 C-N-CA 125.055 1.342 . . . . 1.49 110.074 176.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.434 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 3.2 p -57.16 -27.37 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-O 121.713 0.768 . . . . 0.84 111.226 -175.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -79.23 -46.71 17.29 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.873 -1.058 . . . . 0.25 109.816 179.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -63.27 -39.17 93.85 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 122.968 0.507 . . . . 0.21 110.337 177.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.68 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 84.6 mt-10 -59.58 -44.31 93.37 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 116.022 -0.535 . . . . 0.73 110.095 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.01 -38.7 76.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 114.713 -1.131 . . . . 2.46 110.646 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 ptm180 -84.06 -32.59 24.75 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.629 -0.714 . . . . 1.72 112.26 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 32.6 m-85 -96.78 -6.08 37.0 Favored 'General case' 0 N--CA 1.431 -1.389 0 C-N-CA 120.297 -0.561 . . . . 0.34 112.368 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 66.64 0.11 1.74 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 123.825 0.85 . . . . 1.56 112.503 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 76' ' ' ILE . 7.6 p -95.74 -33.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 C-N-CA 119.917 -0.713 . . . . 1.16 112.512 -171.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.3 ttmp? 65.67 113.88 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 114.013 1.116 . . . . 1.48 114.013 -175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.577 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.9 mp -123.68 96.69 42.88 Favored Pre-proline 0 CA--C 1.492 -1.286 0 N-CA-C 105.577 -2.008 . . . . 0.52 105.577 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.06 145.96 83.25 Favored 'Trans proline' 0 C--N 1.328 -0.54 0 C-N-CA 122.41 2.073 . . . . 0.41 110.913 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p30 -55.74 -23.08 27.21 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.448 0.536 . . . . 0.95 112.448 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.2 t70 -78.04 -26.93 48.65 Favored 'General case' 0 C--O 1.205 -1.246 0 CA-C-O 121.693 0.758 . . . . 1.16 110.551 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.8 -37.98 14.99 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.57 -0.741 . . . . 1.58 110.84 178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.723 HG22 ' H2 ' ' A' ' 101' ' ' SXH . 0.9 OUTLIER -58.99 -23.08 23.17 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.287 0 CA-C-N 114.41 -1.268 . . . . 0.73 111.834 -177.163 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.582 ' HB3' H37A ' A' ' 101' ' ' SXH . 19.2 ptpt -56.12 -28.51 58.13 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 112.794 0.664 . . . . 0.87 112.794 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -77.0 -13.0 60.01 Favored 'General case' 0 C--N 1.291 -1.968 0 CA-C-N 115.867 -0.606 . . . . 1.09 110.02 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.856 HD13 ' HA ' ' A' ' 72' ' ' ALA . 46.2 mt -106.41 37.75 2.22 Favored 'General case' 0 C--O 1.19 -2.044 0 C-N-CA 124.211 1.004 . . . . 0.89 110.906 -174.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -26.7 -35.47 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.796 2.038 . . . . 2.81 115.851 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.542 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.1 p -107.22 172.45 6.82 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 121.542 -0.724 . . . . 0.34 112.206 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.765 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 25.3 t -68.3 -42.39 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 C-N-CA 119.976 -0.689 . . . . 0.18 109.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.507 ' HA2' ' HB ' ' A' ' 73' ' ' THR . . . -76.12 -22.94 72.74 Favored Glycine 0 CA--C 1.477 -2.326 0 CA-C-N 115.189 -0.914 . . . . 0.2 112.863 -176.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 6.6 t0 -67.18 -47.22 71.6 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 106.021 -1.844 . . . . 0.62 106.021 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.856 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.16 -52.79 62.41 Favored 'General case' 0 CA--C 1.488 -1.411 0 CA-C-N 113.931 -1.486 . . . . 0.21 109.408 177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.616 ' HA ' HG21 ' A' ' 7' ' ' ILE . 98.0 m -54.05 -36.28 62.9 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-N 115.145 -0.934 . . . . 0.28 111.403 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.5 OUTLIER -67.01 -51.29 56.76 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.3 -1.0 . . . . 2.01 108.3 -177.661 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -61.14 -47.93 83.94 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.161 -0.927 . . . . 0.56 110.783 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.547 HG12 HD11 ' A' ' 58' ' ' ILE . 79.8 mt -63.62 -46.38 94.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.065 0 CA-C-N 115.458 -0.792 . . . . 0.32 111.19 -177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 5.2 tt -68.2 -42.74 79.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.619 0.723 . . . . 0.92 109.373 -177.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -67.84 -28.69 67.77 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.435 0.636 . . . . 0.68 111.476 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -98.19 5.89 48.02 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 113.757 1.021 . . . . 0.79 113.757 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.477 HE21 HG22 ' A' ' 76' ' ' ILE . 73.7 mm-40 -53.12 119.0 4.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 122.897 0.479 . . . . 1.07 111.991 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.732 0 C-N-CA 125.096 1.358 . . . . 2.75 110.494 -179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.747 ' H5 ' ' SD ' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.635 0 CA-C-O 121.521 0.677 . . . . 1.43 111.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.92 170.12 16.94 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 115.328 -0.851 . . . . 0.87 108.991 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.745 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.1 p -116.7 -168.45 1.46 Allowed 'General case' 0 N--CA 1.421 -1.891 0 N-CA-C 107.976 -1.12 . . . . 0.82 107.976 -176.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.16 -51.24 69.9 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 108.423 -0.954 . . . . 1.24 108.423 177.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -64.74 -41.98 95.53 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.953 -0.567 . . . . 2.43 111.352 -178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.745 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.5 mm-40 -65.86 -42.1 90.85 Favored 'General case' 0 CA--C 1.506 -0.741 0 N-CA-C 112.69 0.626 . . . . 2.07 112.69 -177.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.621 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 89.9 mt -61.25 -50.35 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.225 -0.657 . . . . 0.25 109.225 174.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 26' ' ' VAL . 61.9 t -55.92 -56.92 10.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 O-C-N 124.057 0.848 . . . . 0.2 111.443 -178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.05 -24.37 67.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.877 0.325 . . . . 0.28 111.877 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.29 -40.27 24.42 Favored Glycine 0 N--CA 1.428 -1.868 0 N-CA-C 110.674 -0.97 . . . . 0.18 110.674 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.631 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.9 mt -69.67 -46.81 65.23 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 107.628 -1.249 . . . . 0.26 107.628 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.666 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -52.84 -52.35 57.47 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 124.371 1.045 . . . . 0.15 112.608 -177.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -55.67 -31.5 62.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.163 0.431 . . . . 0.76 112.163 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.823 HG21 ' HA ' ' A' ' 46' ' ' VAL . 59.7 mt -76.47 -51.89 18.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 N-CA-C 109.12 -0.696 . . . . 0.25 109.12 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.688 HG21 ' HE1' ' A' ' 32' ' ' PHE . 47.2 t -52.87 -37.87 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.64 1.176 . . . . 0.2 110.517 176.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -48.81 -41.88 34.22 Favored 'General case' 0 CA--C 1.495 -1.149 0 C-N-CA 124.507 1.123 . . . . 0.85 111.582 177.472 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -77.81 -60.36 2.4 Favored 'General case' 0 N--CA 1.434 -1.237 0 O-C-N 123.484 0.49 . . . . 2.35 112.126 -176.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -76.11 -55.72 10.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.627 -0.429 . . . . 0.28 111.08 -169.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.68 -33.94 40.68 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 120.882 0.372 . . . . 0.44 111.492 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.24 8.74 59.84 Favored Glycine 0 N--CA 1.429 -1.79 0 C-N-CA 120.762 -0.732 . . . . 0.27 111.833 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.547 ' HB ' HG12 ' A' ' 15' ' ' VAL . 44.3 mm -78.13 119.53 77.7 Favored Pre-proline 0 CA--C 1.498 -1.042 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 54.3 Cg_exo -55.88 152.68 34.74 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 124.058 3.172 . . . . 0.33 112.96 -177.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.666 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 5.4 m -56.13 -40.06 62.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.908 -0.587 . . . . 0.9 112.372 -176.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.65 1.24 57.37 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.378 0.51 . . . . 2.99 112.378 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -86.2 -37.98 18.12 Favored 'General case' 0 CA--C 1.504 -0.805 0 N-CA-C 106.2 -1.778 . . . . 0.71 106.2 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.463 HG12 HG13 ' A' ' 8' ' ' VAL . 94.1 t -62.53 96.73 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 CA-C-N 114.462 -1.245 . . . . 0.19 109.204 172.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 98.8 mttt -117.18 163.47 16.25 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 107.317 -1.364 . . . . 2.03 107.317 176.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -59.02 -42.88 91.25 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 113.08 0.77 . . . . 1.2 113.08 -171.21 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -99.33 55.29 0.98 Allowed 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 123.1 1.429 . . . . 2.12 107.213 -176.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' O ' HG23 ' A' ' 69' ' ' VAL . 45.1 mmtm -135.82 99.74 4.26 Favored 'General case' 0 N--CA 1.385 -3.692 0 CA-C-N 113.062 -1.881 . . . . 1.38 106.914 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.731 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.4 t -62.75 121.59 13.79 Favored 'General case' 0 C--N 1.271 -2.814 0 CA-C-N 114.163 -1.38 . . . . 1.23 108.51 175.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.688 ' HE1' HG21 ' A' ' 15' ' ' VAL . 44.2 m-85 -50.4 -56.06 13.08 Favored 'General case' 0 C--N 1.289 -2.037 0 N-CA-C 113.513 0.931 . . . . 0.28 113.513 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.55 31.21 0.35 Allowed 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 113.827 1.047 . . . . 1.39 113.827 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 25.7 t70 -159.25 -66.4 0.08 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.64 -0.662 . . . . 0.59 111.617 179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 31' ' ' SER . 8.8 m-20 -67.55 -44.15 78.99 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 124.345 1.058 . . . . 1.31 111.543 -178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 21' ' ' ILE . 76.1 mt -87.82 -87.72 0.15 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 115.062 -0.972 . . . . 0.41 110.842 -176.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.6 t70 143.43 68.46 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 128.357 2.663 . . . . 1.24 109.063 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG13 ' H ' ' A' ' 40' ' ' SER . 6.1 p -90.77 150.39 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 N-CA-C 106.762 -1.57 . . . . 0.79 106.762 176.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -90.38 15.54 10.41 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.162 -0.681 . . . . 2.28 109.162 -176.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.516 ' H ' HG13 ' A' ' 38' ' ' VAL . 88.7 p 56.64 -30.39 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.824 2.45 . . . . 0.75 115.38 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD23 H31B ' A' ' 101' ' ' SXH . 78.3 mt -73.8 -22.64 59.75 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.128 -1.434 . . . . 0.86 107.128 177.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.557 ' HA ' HG21 ' A' ' 18' ' ' ILE . 4.0 m -62.99 -38.62 91.9 Favored 'General case' 0 N--CA 1.405 -2.699 0 CA-C-N 113.88 -1.509 . . . . 0.71 107.773 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.789 ' HG2' ' S1 ' ' A' ' 101' ' ' SXH . 34.9 tpp -63.06 -30.9 71.96 Favored 'General case' 0 C--O 1.206 -1.226 0 CA-C-N 114.775 -1.102 . . . . 0.42 111.023 -171.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.1 t -66.52 -42.12 89.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.937 0 CA-C-N 115.992 -0.549 . . . . 0.49 110.045 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 40.1 mm-40 -72.92 -44.18 61.52 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.331 -0.988 . . . . 1.85 108.331 175.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.823 ' HA ' HG21 ' A' ' 14' ' ' ILE . 84.0 t -55.01 -49.62 69.95 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 114.993 -1.003 . . . . 0.3 112.04 -177.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 63' ' ' VAL . 9.6 t -80.5 -33.03 13.53 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.24 0 C-N-CA 120.002 -0.679 . . . . 1.49 111.84 -172.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.46 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 60.3 t -63.39 -36.04 74.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.536 0.684 . . . . 0.84 109.333 175.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.414 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.69 -40.15 69.73 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 114.921 -1.036 . . . . 0.25 108.43 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.476 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -62.08 -39.31 92.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.259 -0.882 . . . . 0.21 110.979 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.675 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 48.7 mt-10 -59.82 -39.67 85.83 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.769 0.318 . . . . 0.73 110.441 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.72 -32.53 60.09 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 115.15 -0.932 . . . . 2.46 111.842 -174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.6 ptm180 -88.57 -34.66 17.27 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 116.015 -0.539 . . . . 1.72 112.112 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 45.9 m-85 -90.71 -20.46 22.43 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.499 -0.319 . . . . 0.34 111.615 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 t70 63.34 12.64 6.39 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.464 1.106 . . . . 1.56 110.643 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 HG23 ' A' ' 76' ' ' ILE . 7.4 p -90.18 -37.7 9.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 O-C-N 121.682 -0.636 . . . . 1.16 110.483 -177.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 2.1 mptm? 69.59 114.32 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 115.151 1.538 . . . . 1.48 115.151 -176.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.675 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.5 mp -131.66 118.77 16.91 Favored Pre-proline 0 C--N 1.302 -1.488 0 N-CA-C 105.226 -2.139 . . . . 0.52 105.226 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' HD2' ' HB3' ' A' ' 62' ' ' ASP . 16.9 Cg_exo -71.64 144.69 45.01 Favored 'Trans proline' 0 C--N 1.3 -1.991 0 N-CA-C 107.787 -1.659 . . . . 0.41 107.787 172.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.539 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.9 p-10 -61.37 -15.15 33.43 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 118.843 0.747 . . . . 0.95 111.541 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.64 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 35.6 t70 -79.45 -25.48 41.95 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 121.818 -0.551 . . . . 1.16 110.187 174.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.2 t0 -87.61 -30.33 20.55 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 108.448 -0.945 . . . . 1.58 108.448 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.703 HG21 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -58.23 -20.61 15.81 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.985 0 CA-C-N 113.883 -1.508 . . . . 0.73 112.658 -179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.64 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 18.5 ptpt -58.47 -30.19 66.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.416 0.627 . . . . 0.87 111.178 177.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.41 -10.42 59.38 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.557 -0.747 . . . . 1.09 109.274 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.837 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.2 mt -111.93 36.99 3.09 Favored 'General case' 0 C--O 1.198 -1.655 0 CA-C-N 115.666 -0.697 . . . . 0.89 109.773 -173.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -42.87 -24.21 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 114.523 1.305 . . . . 2.81 114.523 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.731 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 42.6 p -110.56 158.43 18.56 Favored 'General case' 0 N--CA 1.427 -1.581 0 O-C-N 121.685 -0.635 . . . . 0.34 111.118 177.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 32' ' ' PHE . 24.3 t -59.77 -43.76 92.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.592 0.711 . . . . 0.18 110.855 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.08 -18.53 76.53 Favored Glycine 0 CA--C 1.484 -1.878 0 CA-C-N 115.107 -0.951 . . . . 0.2 112.285 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.443 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 2.7 t70 -79.56 -44.2 21.56 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.534 -1.284 . . . . 0.62 107.534 178.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.837 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.03 -51.36 68.07 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 108.162 -1.051 . . . . 0.21 108.162 173.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.559 ' HA ' HG21 ' A' ' 7' ' ' ILE . 43.7 m -59.52 -21.89 60.87 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.506 -1.225 . . . . 0.28 111.262 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -76.75 -46.16 26.33 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 108.386 -0.968 . . . . 2.01 108.386 -178.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -71.53 -46.55 59.29 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-O 121.48 0.657 . . . . 0.56 110.054 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.63 HG12 HD11 ' A' ' 58' ' ' ILE . 84.6 mt -63.43 -45.16 98.68 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.212 0 CA-C-N 114.903 -1.044 . . . . 0.32 112.29 -176.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.718 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.8 tt -71.88 -43.52 65.27 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 120.905 0.383 . . . . 0.92 110.653 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -62.57 -30.69 71.5 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-O 121.592 0.711 . . . . 0.68 111.351 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.06 6.27 40.95 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.287 -0.87 . . . . 0.79 112.973 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.718 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 58.0 mm-40 -48.1 155.11 0.49 Allowed 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.218 1.562 . . . . 1.07 115.218 -178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.283 0 CA-C-N 113.815 -1.538 . . . . 2.75 106.959 177.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.789 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.022 0 N-CA-C 108.905 -0.776 . . . . 1.43 108.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.79 144.96 52.51 Favored 'General case' 0 N--CA 1.422 -1.873 0 CA-C-N 115.258 -0.883 . . . . 0.87 109.913 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.679 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 21.8 p -107.58 -167.3 1.24 Allowed 'General case' 0 N--CA 1.42 -1.963 0 N-CA-C 108.721 -0.844 . . . . 0.82 108.721 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.6 OUTLIER -58.17 -52.22 66.46 Favored 'General case' 0 C--O 1.206 -1.188 0 N-CA-C 107.811 -1.181 . . . . 1.24 107.811 174.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.32 -41.33 98.9 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.213 -0.903 . . . . 2.43 110.91 -175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.679 ' HB2' ' H ' ' A' ' 3' ' ' THR . 38.4 mt-10 -75.01 -48.73 22.65 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 113.659 0.985 . . . . 2.07 113.659 -175.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.617 ' HB ' HG23 ' A' ' 73' ' ' THR . 94.0 mt -55.94 -45.05 79.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 109.625 -0.509 . . . . 0.25 109.625 176.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG13 HG12 ' A' ' 26' ' ' VAL . 54.2 t -54.43 -57.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 O-C-N 124.115 0.884 . . . . 0.2 111.534 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.29 70.15 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.86 0.318 . . . . 0.28 111.86 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.79 -42.2 46.97 Favored Glycine 0 N--CA 1.427 -1.954 0 N-CA-C 110.907 -0.877 . . . . 0.18 110.907 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.641 HD22 ' H6B' ' A' ' 101' ' ' SXH . 80.6 mt -68.39 -45.55 72.38 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.056 -0.72 . . . . 0.26 109.056 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.639 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -57.2 -47.37 81.43 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.154 -0.93 . . . . 0.15 112.43 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 5.7 pt-20 -58.27 -35.18 71.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.323 0.51 . . . . 0.76 111.422 -179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.831 HG21 ' HA ' ' A' ' 46' ' ' VAL . 49.1 mt -68.17 -51.17 51.14 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.078 -0.712 . . . . 0.25 109.078 177.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 32' ' ' PHE . 57.8 t -53.4 -41.3 43.98 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 C-N-CA 123.995 0.918 . . . . 0.2 110.448 175.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.634 HD21 ' N ' ' A' ' 23' ' ' VAL . 8.7 m-80 -55.77 -39.95 71.92 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.301 1.04 . . . . 0.85 112.022 176.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 9.5 mm-40 -76.65 -44.87 32.16 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 112.264 0.468 . . . . 2.35 112.264 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 45' ' ' GLU . 8.6 mt -91.02 -55.36 6.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 118.869 -1.132 . . . . 0.28 110.985 -174.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.14 -54.62 5.81 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 120.184 -0.607 . . . . 0.44 110.885 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.85 9.96 13.15 Favored Glycine 0 N--CA 1.432 -1.625 0 CA-C-N 115.638 -0.71 . . . . 0.27 112.644 -177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.673 HG21 HD13 ' A' ' 36' ' ' LEU . 42.9 mm -74.06 119.51 76.66 Favored Pre-proline 0 CA--C 1.495 -1.16 0 N-CA-C 107.439 -1.319 . . . . 0.25 107.439 177.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.514 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 24.4 Cg_exo -59.49 157.56 31.07 Favored 'Trans proline' 0 CA--C 1.501 -1.127 0 C-N-CA 122.667 2.245 . . . . 0.33 113.288 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.639 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 9.8 p -67.3 -12.76 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 CA-C-N 113.988 -1.46 . . . . 0.9 111.927 -170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -107.61 -13.93 14.94 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.015 -0.539 . . . . 2.99 111.769 178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 4.7 t70 -77.22 -37.14 53.99 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 106.133 -1.803 . . . . 0.71 106.133 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 HG12 HG13 ' A' ' 8' ' ' VAL . 81.1 t -66.99 97.26 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 0.19 107.404 170.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HB2' ' HD3' ' A' ' 30' ' ' LYS . 58.7 mttm -102.44 -96.66 0.29 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 115.286 -0.87 . . . . 2.03 109.504 179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.8 OUTLIER -152.05 -41.06 0.11 Allowed 'General case' 0 C--N 1.304 -1.38 0 C-N-CA 119.311 -0.956 . . . . 1.2 111.212 172.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -88.04 22.08 2.52 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.016 -1.105 . . . . 2.12 108.016 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.8 mptp? -104.01 107.62 18.59 Favored 'General case' 0 N--CA 1.39 -3.462 0 CA-C-N 114.394 -1.275 . . . . 1.38 109.136 -173.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.718 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.1 m -68.02 108.25 3.0 Favored 'General case' 0 C--N 1.268 -2.969 0 N-CA-C 107.325 -1.361 . . . . 1.23 107.325 174.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 15' ' ' VAL . 35.7 m-85 -42.77 -63.42 0.79 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 113.55 0.944 . . . . 0.28 113.55 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.29 39.97 0.21 Allowed 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.711 1.004 . . . . 1.39 113.711 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.718 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 19.7 t70 -164.38 -67.28 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.578 -0.701 . . . . 0.59 111.576 179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.499 ' CG ' ' HG3' ' A' ' 30' ' ' LYS . 7.7 t70 -67.43 -51.18 54.8 Favored 'General case' 0 CA--C 1.478 -1.797 0 C-N-CA 123.81 0.844 . . . . 1.31 109.553 -175.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD13 HG21 ' A' ' 21' ' ' ILE . 68.5 mt -79.68 -87.84 0.07 Allowed 'General case' 0 N--CA 1.414 -2.259 0 CA-C-N 113.459 -1.7 . . . . 0.41 109.394 -175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.409 ' H ' ' HB2' ' A' ' 36' ' ' LEU . 38.4 t70 141.17 58.87 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.84 2.456 . . . . 1.24 107.93 177.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.567 ' CG1' ' HB3' ' A' ' 32' ' ' PHE . 6.4 p -86.06 148.83 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.18 0 N-CA-C 105.0 -2.222 . . . . 0.79 105.0 174.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -94.09 114.17 26.28 Favored 'General case' 1 N--CA 1.368 -4.568 0 N-CA-C 101.555 -3.498 . . . . 2.28 101.555 174.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.485 ' HB2' ' C28' ' A' ' 101' ' ' SXH . 91.8 p -45.78 -9.7 0.01 OUTLIER 'General case' 0 CA--C 1.57 1.733 0 N-CA-C 115.358 1.614 . . . . 0.75 115.358 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.1 mt -86.86 -20.49 27.38 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.308 -0.997 . . . . 0.86 108.308 -178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' HG23 ' A' ' 46' ' ' VAL . 49.7 m -70.37 -35.03 73.27 Favored 'General case' 0 N--CA 1.413 -2.288 0 N-CA-C 106.023 -1.843 . . . . 0.71 106.023 173.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.727 ' HG2' H43A ' A' ' 101' ' ' SXH . 44.3 tpp -60.96 -31.58 71.14 Favored 'General case' 0 C--O 1.197 -1.665 0 CA-C-N 114.294 -1.321 . . . . 0.42 111.273 -172.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 44.3 t -60.38 -49.99 82.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.176 -0.676 . . . . 0.49 109.176 177.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HB2' HD13 ' A' ' 18' ' ' ILE . 24.3 mm-40 -72.9 -32.34 65.29 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 115.611 -0.722 . . . . 1.85 110.635 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.831 ' HA ' HG21 ' A' ' 14' ' ' ILE . 65.1 t -62.96 -36.44 75.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.811 -0.811 . . . . 0.3 108.811 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 58' ' ' ILE . 2.7 t -62.03 -61.73 1.48 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 C-N-CA 125.165 1.386 . . . . 1.49 110.056 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.556 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 61.6 t -57.36 -32.81 42.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 123.486 0.492 . . . . 0.84 111.398 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -70.83 -46.66 62.34 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.681 -0.69 . . . . 0.25 109.441 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.448 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.4 -41.29 96.73 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.168 0.587 . . . . 0.21 111.383 179.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 58.0 mt-10 -58.37 -44.17 88.73 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 108.77 -0.826 . . . . 0.73 108.77 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -70.64 -44.66 66.7 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 113.971 -1.468 . . . . 2.46 110.934 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.3 ptm180 -84.24 -28.68 27.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.641 -0.709 . . . . 1.72 112.583 -173.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 56.8 m-85 -99.7 -16.24 18.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 120.664 -0.415 . . . . 0.34 112.117 -175.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.17 15.65 8.73 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.825 0.703 . . . . 1.56 112.615 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 76' ' ' ILE . 52.7 t -93.01 -27.51 4.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.624 -0.716 . . . . 1.16 109.848 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? 61.84 93.26 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.182 -1.372 . . . . 1.48 112.103 178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -125.14 91.37 49.32 Favored Pre-proline 0 CA--C 1.487 -1.477 0 N-CA-C 107.05 -1.463 . . . . 0.52 107.05 177.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.0 157.13 50.49 Favored 'Trans proline' 0 C--N 1.321 -0.89 0 C-N-CA 122.515 2.143 . . . . 0.41 110.097 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' OD2' ' H32' ' A' ' 101' ' ' SXH . 4.3 p-10 -60.37 -28.35 68.13 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 120.984 0.421 . . . . 0.95 111.337 -176.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 28.9 t70 -66.86 -28.66 68.52 Favored 'General case' 0 C--O 1.205 -1.247 0 CA-C-O 121.321 0.581 . . . . 1.16 110.952 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.68 -36.86 15.97 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.626 0.727 . . . . 1.58 110.056 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.438 HG21 ' H5A' ' A' ' 101' ' ' SXH . 0.4 OUTLIER -58.46 -22.53 20.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.069 0 CA-C-N 114.344 -1.298 . . . . 0.73 112.432 -177.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.649 ' HB3' H37A ' A' ' 101' ' ' SXH . 18.6 ptpt -55.12 -33.03 62.51 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.314 0.487 . . . . 0.87 112.314 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.34 -14.12 59.79 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.635 -0.711 . . . . 1.09 109.23 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.815 HD13 ' HA ' ' A' ' 72' ' ' ALA . 30.1 mt -110.69 37.54 2.74 Favored 'General case' 0 C--O 1.204 -1.3 0 CA-C-N 115.423 -0.808 . . . . 0.89 109.407 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -47.89 -16.27 0.08 Allowed 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 114.699 1.37 . . . . 2.81 114.699 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 63.7 p -111.28 162.54 14.88 Favored 'General case' 0 N--CA 1.408 -2.541 0 O-C-N 121.347 -0.845 . . . . 0.34 111.459 176.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 23.1 t -59.69 -51.8 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.357 -0.838 . . . . 0.18 110.397 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.0 -23.16 74.42 Favored Glycine 0 N--CA 1.435 -1.377 0 CA-C-N 115.167 -0.924 . . . . 0.2 112.688 -176.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 3.4 t70 -75.63 -41.87 53.05 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.118 -1.068 . . . . 0.62 108.118 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.815 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -61.49 -49.38 76.99 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.065 -0.971 . . . . 0.21 108.465 175.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.617 HG23 ' HB ' ' A' ' 7' ' ' ILE . 48.7 m -61.52 -21.73 64.49 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.087 -0.961 . . . . 0.28 111.342 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB2' ' HE2' ' A' ' 74' ' ' LYS . 7.4 tppt? -73.05 -56.73 4.72 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 106.651 -1.611 . . . . 2.01 106.651 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -61.6 -46.69 88.76 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 114.337 -1.302 . . . . 0.56 110.99 -178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.617 ' HA ' HG11 ' A' ' 56' ' ' VAL . 69.6 mt -67.92 -33.44 61.37 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.932 -0.576 . . . . 0.32 112.43 -175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.5 tt -78.83 -44.36 23.21 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.409 -0.96 . . . . 0.92 108.409 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.12 -33.83 76.67 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.139 -0.937 . . . . 0.68 110.914 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -101.26 6.49 42.92 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.527 -0.76 . . . . 0.79 112.797 -177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.61 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 25.0 mm-40 -43.04 132.11 4.13 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.226 0.61 . . . . 1.07 111.547 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.844 0 N-CA-C 107.754 -1.202 . . . . 2.75 107.754 176.76 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.727 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.229 -0.656 . . . . 1.43 109.229 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.44 -179.07 7.82 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.443 -0.577 . . . . 0.87 109.443 179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.716 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 47.4 p -129.95 -170.79 2.38 Favored 'General case' 0 N--CA 1.427 -1.59 0 N-CA-C 107.858 -1.164 . . . . 0.82 107.858 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -51.2 69.58 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.603 -1.258 . . . . 1.24 107.603 173.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -62.03 -41.93 98.63 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.771 -0.65 . . . . 2.43 111.937 -177.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.716 ' HB2' ' H ' ' A' ' 3' ' ' THR . 82.7 mm-40 -64.42 -52.25 59.09 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 112.813 0.671 . . . . 2.07 112.813 -178.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.706 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 81.5 mt -58.4 -52.94 53.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 O-C-N 123.305 0.378 . . . . 0.25 110.527 178.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG13 HG12 ' A' ' 26' ' ' VAL . 90.7 t -59.52 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 O-C-N 123.853 0.72 . . . . 0.2 111.803 -178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -31.21 71.85 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 120.87 -0.332 . . . . 0.28 111.037 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.74 -46.28 31.24 Favored Glycine 0 N--CA 1.422 -2.261 0 N-CA-C 111.088 -0.805 . . . . 0.18 111.088 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 15' ' ' VAL . 97.2 mt -62.44 -47.3 84.68 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 108.735 -0.839 . . . . 0.26 108.735 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -56.57 -51.69 67.62 Favored 'General case' 0 C--O 1.194 -1.86 0 CA-C-O 118.305 -0.855 . . . . 0.15 112.175 -178.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -54.7 -28.66 49.37 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 118.598 0.635 . . . . 0.76 112.003 -177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.833 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.1 mt -81.34 -52.34 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.747 0 CA-C-N 115.699 -0.682 . . . . 0.25 109.251 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 11' ' ' LEU . 59.3 t -57.63 -35.5 50.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.567 1.147 . . . . 0.2 111.45 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -57.41 -44.43 84.56 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 121.495 0.664 . . . . 0.85 109.429 179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -81.21 -36.29 30.25 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 115.219 -0.9 . . . . 2.35 113.025 -172.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.642 HG21 ' HA ' ' A' ' 42' ' ' SER . 15.2 mt -91.8 -54.96 6.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 C-N-CA 118.194 -1.403 . . . . 0.28 110.523 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.39 -51.53 9.92 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 119.649 -0.82 . . . . 0.44 110.86 179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.97 11.01 11.43 Favored Glycine 0 N--CA 1.438 -1.178 0 CA-C-N 115.44 -0.8 . . . . 0.27 111.966 -176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.63 HG21 HD13 ' A' ' 36' ' ' LEU . 33.4 mm -78.16 120.5 81.41 Favored Pre-proline 0 C--O 1.214 -0.775 0 N-CA-C 108.755 -0.832 . . . . 0.25 108.755 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -58.12 159.3 18.99 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 123.621 2.88 . . . . 0.33 113.957 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.493 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.1 m -62.43 -27.02 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 C-N-CA 123.414 0.686 . . . . 0.9 111.6 -177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -98.04 -3.13 38.73 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 115.63 -0.714 . . . . 2.99 111.227 -178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.74 -43.65 10.54 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 106.844 -1.539 . . . . 0.71 106.844 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.536 HG12 HG13 ' A' ' 8' ' ' VAL . 80.2 t -63.17 96.38 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 108.194 -1.039 . . . . 0.19 108.194 170.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -108.52 -100.06 0.37 Allowed 'General case' 0 C--O 1.211 -0.938 0 N-CA-C 111.988 0.366 . . . . 2.03 111.988 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' A' ' 30' ' ' LYS . 84.9 mt -134.28 -68.43 0.55 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.563 0.697 . . . . 1.2 109.767 177.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -86.95 36.03 0.71 Allowed 'General case' 0 C--N 1.297 -1.684 0 CA-C-O 123.996 1.855 . . . . 2.12 108.556 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.649 ' HG3' ' OD2' ' A' ' 35' ' ' ASP . 5.4 mptp? -109.19 94.45 5.05 Favored 'General case' 0 N--CA 1.39 -3.471 0 CA-C-N 112.755 -2.02 . . . . 1.38 106.232 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.825 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 3.1 m -63.91 114.91 4.39 Favored 'General case' 0 C--N 1.268 -2.945 0 N-CA-C 107.471 -1.307 . . . . 1.23 107.471 178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' A' ' 69' ' ' VAL . 49.3 m-85 -49.16 -60.98 2.33 Favored 'General case' 0 C--N 1.306 -1.324 0 N-CA-C 112.483 0.549 . . . . 0.28 112.483 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.25 46.95 0.87 Allowed 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 123.733 0.813 . . . . 1.39 113.005 176.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 30.0 t70 -169.1 -56.75 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 O-C-N 122.087 -0.383 . . . . 0.59 111.931 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.649 ' OD2' ' HG3' ' A' ' 30' ' ' LYS . 20.7 t70 -87.52 -46.23 9.76 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 122.077 0.941 . . . . 1.31 110.212 -176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 HG21 ' A' ' 21' ' ' ILE . 45.3 mt -82.15 -69.3 0.63 Allowed 'General case' 0 C--N 1.29 -1.997 0 CA-C-N 113.916 -1.493 . . . . 0.41 110.503 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.299 36.0 t70 111.2 72.67 0.0 OUTLIER 'General case' 0 CA--C 1.478 -1.805 0 C-N-CA 129.279 3.032 . . . . 1.24 111.421 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 40' ' ' SER . 9.5 p -84.25 154.23 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.583 0 N-CA-C 105.077 -2.194 . . . . 0.79 105.077 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 41' ' ' LEU . 12.4 m-20 -91.42 11.38 24.06 Favored 'General case' 0 C--N 1.291 -1.966 0 C-N-CA 119.904 -0.718 . . . . 2.28 110.505 -177.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.453 ' H ' HG13 ' A' ' 38' ' ' VAL . 92.1 p 58.73 -32.84 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 127.912 2.485 . . . . 0.75 114.39 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 39' ' ' ASP . 72.8 mt -74.46 -27.25 60.51 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.746 -1.946 . . . . 0.86 105.746 177.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.642 ' HA ' HG21 ' A' ' 18' ' ' ILE . 2.1 m -58.72 -47.11 85.7 Favored 'General case' 0 N--CA 1.412 -2.334 0 CA-C-N 113.253 -1.794 . . . . 0.71 106.664 173.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.574 ' O ' HG23 ' A' ' 47' ' ' VAL . 41.2 tpp -61.15 -34.2 74.63 Favored 'General case' 0 C--O 1.178 -2.689 0 CA-C-N 113.569 -1.65 . . . . 0.42 110.77 -172.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.2 t -66.21 -30.51 50.13 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-O 121.317 0.58 . . . . 0.49 110.947 -178.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.52 ' HB2' HD13 ' A' ' 18' ' ' ILE . 16.2 mm-40 -84.2 -32.47 24.52 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.257 -1.016 . . . . 1.85 108.257 175.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.833 ' HA ' HG21 ' A' ' 14' ' ' ILE . 60.1 t -63.27 -32.98 58.43 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.613 0 CA-C-N 115.227 -0.897 . . . . 0.3 109.05 177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 25.2 t -60.78 -64.09 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.475 -1.935 0 C-N-CA 125.188 1.395 . . . . 1.49 109.88 177.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 95.4 t -55.46 -33.76 32.93 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 O-C-N 123.972 0.795 . . . . 0.84 111.218 -177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -74.47 -44.05 53.33 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 115.506 -0.77 . . . . 0.25 110.205 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -66.08 -39.28 89.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.184 -0.462 . . . . 0.21 110.575 178.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.724 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 74.5 mt-10 -57.3 -39.89 76.7 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.532 -0.544 . . . . 0.73 109.532 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 48' ' ' VAL . 51.8 mt-10 -74.94 -47.42 29.67 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.329 -0.85 . . . . 2.46 112.033 -176.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 6.0 ptm180 -77.06 -24.5 51.95 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.68 -0.691 . . . . 1.72 111.472 -171.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.706 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.0 m-85 -101.96 -23.1 14.17 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.341 -0.391 . . . . 0.34 111.62 -178.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.0 t70 63.11 19.91 11.95 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 122.887 1.327 . . . . 1.56 109.845 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 80' ' ' GLN . 55.6 t -90.23 -55.35 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 CA-C-N 113.905 -1.498 . . . . 1.16 109.393 179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.724 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 3.0 ttmp? 76.48 111.93 0.07 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 113.504 -1.68 . . . . 1.48 111.988 -174.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 66' ' ' LEU . 1.6 mp -127.69 93.91 38.91 Favored Pre-proline 0 CA--C 1.471 -2.073 0 N-CA-C 104.805 -2.294 . . . . 0.52 104.805 175.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.12 149.01 56.05 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 121.861 1.708 . . . . 0.41 108.953 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.578 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.0 p-10 -60.4 -14.78 20.8 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.473 0.654 . . . . 0.95 111.279 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 30.4 t70 -74.78 -32.65 62.1 Favored 'General case' 0 C--O 1.202 -1.428 0 C-N-CA 123.998 0.919 . . . . 1.16 110.547 175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.83 -26.88 23.83 Favored 'General case' 0 N--CA 1.489 1.515 0 CA-C-O 122.303 1.049 . . . . 1.58 108.78 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.681 HG13 ' H2 ' ' A' ' 101' ' ' SXH . 3.1 t -53.91 -24.69 11.03 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 CA-C-N 113.236 -1.802 . . . . 0.73 111.997 176.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 18.8 ptpt -68.13 -24.37 65.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.848 0.832 . . . . 0.87 110.876 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -87.09 -6.45 58.68 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 114.887 -1.051 . . . . 1.09 108.841 -176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.869 HD13 ' HA ' ' A' ' 72' ' ' ALA . 52.3 mt -112.73 33.76 4.79 Favored 'General case' 0 C--O 1.184 -2.344 0 CA-C-O 118.919 -0.562 . . . . 0.89 111.404 -175.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' SER . 9.3 ptpp? -25.62 -37.74 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.392 0 C-N-CA 126.314 1.846 . . . . 2.81 115.273 176.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.2 p -111.81 163.78 13.8 Favored 'General case' 0 N--CA 1.42 -1.945 0 CA-C-O 121.537 0.684 . . . . 0.34 112.325 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' A' ' 32' ' ' PHE . 7.4 t -62.37 -37.99 80.1 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 CA-C-N 115.326 -0.852 . . . . 0.18 110.084 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -68.94 -29.47 72.47 Favored Glycine 0 N--CA 1.427 -1.927 0 CA-C-N 115.099 -0.955 . . . . 0.2 111.784 -178.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.96 -41.19 52.19 Favored 'General case' 0 CA--C 1.498 -1.043 0 N-CA-C 107.745 -1.206 . . . . 0.62 107.745 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.869 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.83 -55.31 34.0 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-N 114.918 -1.037 . . . . 0.21 109.001 175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.575 ' HA ' HG21 ' A' ' 7' ' ' ILE . 46.0 m -58.79 -28.62 66.13 Favored 'General case' 0 C--N 1.31 -1.143 0 C-N-CA 123.816 0.846 . . . . 0.28 111.511 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.12 -43.52 64.6 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.796 -0.816 . . . . 2.01 108.796 -178.251 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -74.35 -50.39 18.89 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.431 -0.804 . . . . 0.56 110.73 179.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.514 HG22 HE21 ' A' ' 80' ' ' GLN . 67.5 mt -59.99 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.022 0 CA-C-N 115.307 -0.86 . . . . 0.32 112.354 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.546 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.4 tt -63.66 -35.84 81.86 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.544 0.688 . . . . 0.92 110.485 -175.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -73.33 -32.67 64.71 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-O 121.696 0.76 . . . . 0.68 111.012 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -97.08 6.52 48.41 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.3 -0.864 . . . . 0.79 112.348 -176.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.56 ' HA ' HG22 ' A' ' 56' ' ' VAL . 57.1 mm-40 -52.54 158.42 1.27 Allowed 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 114.227 1.195 . . . . 1.07 114.227 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.186 0 N-CA-C 106.78 -1.563 . . . . 2.75 106.78 173.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.681 ' H2 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.325 0 N-CA-C 109.407 -0.59 . . . . 1.43 109.407 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.27 165.59 11.38 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 116.269 -0.423 . . . . 0.87 110.866 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.821 ' H ' ' HB3' ' A' ' 6' ' ' GLU . 22.6 p -126.2 -165.78 1.48 Allowed 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.698 -0.853 . . . . 0.82 108.698 -176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.9 OUTLIER -59.44 -56.2 25.04 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-N 117.955 0.343 . . . . 1.24 110.494 -177.322 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.99 -31.87 66.67 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.263 0.554 . . . . 2.43 110.476 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.821 ' HB3' ' H ' ' A' ' 3' ' ' THR . 8.1 tp10 -66.22 -52.2 50.17 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.176 -0.92 . . . . 2.07 110.245 -176.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.615 HD13 ' HB ' ' A' ' 76' ' ' ILE . 94.6 mt -57.87 -50.16 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 116.283 -0.417 . . . . 0.25 109.994 176.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 4' ' ' GLN . 59.9 t -52.3 -56.25 7.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 124.011 0.82 . . . . 0.2 111.909 -178.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.01 -30.19 71.41 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 111.897 0.332 . . . . 0.28 111.897 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -75.09 -45.66 19.24 Favored Glycine 0 N--CA 1.429 -1.779 0 N-CA-C 110.32 -1.112 . . . . 0.18 110.32 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.7 mt -61.68 -46.23 90.6 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 108.736 -0.838 . . . . 0.26 108.736 176.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.84 -52.01 64.07 Favored 'General case' 0 C--O 1.201 -1.492 0 O-C-N 124.148 0.905 . . . . 0.15 112.361 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.7 -28.06 65.43 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.245 0.461 . . . . 0.76 112.245 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.812 HG21 ' HA ' ' A' ' 46' ' ' VAL . 36.9 mt -76.8 -52.63 16.59 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.445 0 N-CA-C 108.968 -0.753 . . . . 0.25 108.968 175.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' A' ' 21' ' ' ILE . 59.1 t -51.84 -38.64 23.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 125.067 1.347 . . . . 0.2 110.925 175.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.518 ' OD1' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -54.86 -44.16 73.76 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.4 0.68 . . . . 0.85 110.424 176.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -71.05 -52.58 18.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.659 -0.701 . . . . 2.35 112.446 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.626 HD13 ' HB2' ' A' ' 45' ' ' GLU . 5.1 mt -92.1 -55.06 6.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 119.547 -0.861 . . . . 0.28 111.932 -170.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.32 -47.47 42.37 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 120.156 -0.618 . . . . 0.44 111.159 -177.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.33 13.1 18.17 Favored Glycine 0 N--CA 1.429 -1.777 0 C-N-CA 120.581 -0.819 . . . . 0.27 112.168 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.678 HG21 HD13 ' A' ' 36' ' ' LEU . 40.8 mm -86.33 116.44 65.87 Favored Pre-proline 0 N--CA 1.444 -0.727 0 N-CA-C 108.485 -0.931 . . . . 0.25 108.485 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.77 161.51 21.33 Favored 'Trans proline' 0 C--O 1.248 1.0 0 C-N-CA 123.7 2.933 . . . . 0.33 112.815 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.518 HG13 ' OD1' ' A' ' 16' ' ' ASN . 15.5 m -62.85 -21.86 28.94 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 N-CA-C 113.165 0.802 . . . . 0.9 113.165 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -94.87 -0.73 53.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.603 -0.271 . . . . 2.99 111.023 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -98.89 -39.05 8.78 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 119.41 -0.916 . . . . 0.71 109.587 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.9 t -63.61 91.77 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 115.867 -0.606 . . . . 0.19 110.356 174.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.604 ' O ' ' HB2' ' A' ' 30' ' ' LYS . 67.6 mttm -113.0 154.06 27.08 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 105.789 -1.93 . . . . 2.03 105.789 174.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.872 ' HA ' ' HB ' ' A' ' 69' ' ' VAL 0.253 1.7 pt? -58.72 -37.01 75.21 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 115.736 1.754 . . . . 1.2 115.736 -170.201 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.48 2.35 37.28 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 122.172 0.987 . . . . 2.12 110.89 -177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.607 ' HG3' ' OD1' ' A' ' 35' ' ' ASP . 3.9 mptp? -85.67 93.37 8.82 Favored 'General case' 0 N--CA 1.403 -2.779 0 CA-C-N 115.419 -0.81 . . . . 1.38 109.351 -178.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.658 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 20.6 t -55.43 103.84 0.11 Allowed 'General case' 0 C--N 1.294 -1.835 0 CA-C-N 114.859 -1.064 . . . . 1.23 108.194 172.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.825 ' CE2' HG22 ' A' ' 69' ' ' VAL . 58.9 m-85 -38.54 -65.44 0.35 Allowed 'General case' 0 C--O 1.244 0.815 0 C-N-CA 123.508 0.723 . . . . 0.28 112.761 177.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.13 53.29 0.62 Allowed 'General case' 0 CA--C 1.566 1.594 0 C-N-CA 125.377 1.471 . . . . 1.39 111.504 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 19.0 t70 -179.23 -62.92 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.888 0.851 . . . . 0.59 110.897 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.607 ' OD1' ' HG3' ' A' ' 30' ' ' LYS . 5.6 t70 -81.35 -55.05 4.97 Favored 'General case' 0 CA--C 1.481 -1.699 0 CA-C-N 114.726 -1.125 . . . . 1.31 110.386 -172.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD13 HG21 ' A' ' 21' ' ' ILE . 62.2 mt -73.35 -85.24 0.04 OUTLIER 'General case' 0 N--CA 1.419 -2.024 0 CA-C-N 114.17 -1.377 . . . . 0.41 109.504 -174.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 23.9 t70 144.12 71.24 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 127.03 2.132 . . . . 1.24 108.159 177.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 19' ' ' ALA . 9.4 p -95.19 161.19 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.424 0 N-CA-C 107.214 -1.402 . . . . 0.79 107.214 172.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -109.39 15.66 22.89 Favored 'General case' 0 C--N 1.289 -2.045 0 N-CA-C 108.799 -0.815 . . . . 2.28 108.799 -178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.2 p 58.67 -28.98 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 127.426 2.29 . . . . 0.75 115.695 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.8 mt -77.12 -28.18 54.26 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 107.036 -1.468 . . . . 0.86 107.036 -178.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -65.46 -38.64 90.44 Favored 'General case' 0 N--CA 1.409 -2.509 0 CA-C-N 113.901 -1.499 . . . . 0.71 107.511 174.727 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.904 ' HG2' H43A ' A' ' 101' ' ' SXH . 25.0 tpp -68.31 -22.88 64.69 Favored 'General case' 0 C--O 1.188 -2.147 0 CA-C-N 114.985 -1.007 . . . . 0.42 110.602 -175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.642 HG22 H31B ' A' ' 101' ' ' SXH . 31.8 t -68.94 -41.36 81.89 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 N-CA-C 109.035 -0.728 . . . . 0.49 109.035 179.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.626 ' HB2' HD13 ' A' ' 18' ' ' ILE . 6.5 mm-40 -74.13 -34.6 63.94 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 107.918 -1.141 . . . . 1.85 107.918 176.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.812 ' HA ' HG21 ' A' ' 14' ' ' ILE . 86.8 t -59.69 -34.9 56.85 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.258 0 N-CA-C 109.196 -0.668 . . . . 0.3 109.196 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 4.4 t -61.14 -63.55 0.77 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 C-N-CA 124.699 1.199 . . . . 1.49 110.57 176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 43.0 t -61.16 -21.71 25.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 121.788 0.804 . . . . 0.84 111.386 -176.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.406 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -78.4 -49.21 13.94 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.692 -0.686 . . . . 0.25 109.262 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.584 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -64.8 -38.51 91.21 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 123.896 0.878 . . . . 0.21 112.129 -179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.649 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 63.6 mt-10 -56.53 -42.83 79.13 Favored 'General case' 0 CA--C 1.49 -1.354 0 C-N-CA 123.7 0.8 . . . . 0.73 109.945 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -78.37 -41.76 32.34 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.806 -1.543 . . . . 2.46 111.285 -174.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 8.5 ptp180 -77.0 -30.59 55.98 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.985 0.421 . . . . 1.72 112.07 -175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 35.9 m-85 -97.53 -11.07 24.17 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 120.636 -0.426 . . . . 0.34 111.034 -179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 t70 65.41 10.58 6.67 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 124.149 0.98 . . . . 1.56 111.635 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG11 HG23 ' A' ' 76' ' ' ILE . 9.5 p -102.35 -34.6 3.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 O-C-N 121.52 -0.737 . . . . 1.16 111.729 -175.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.649 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 20.7 ttmm 69.15 112.04 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.556 0.946 . . . . 1.48 113.556 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' O ' HG13 ' A' ' 47' ' ' VAL . 2.3 mp -125.22 100.92 32.13 Favored Pre-proline 0 CA--C 1.493 -1.218 0 N-CA-C 105.879 -1.897 . . . . 0.52 105.879 177.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -57.18 146.64 80.56 Favored 'Trans proline' 0 C--N 1.331 -0.343 0 C-N-CA 122.331 2.02 . . . . 0.41 111.62 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.547 ' HA ' HG12 ' A' ' 63' ' ' VAL . 7.0 p-10 -58.96 -23.69 61.86 Favored 'General case' 0 N--CA 1.482 1.152 0 CA-C-O 121.313 0.577 . . . . 0.95 111.536 178.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -75.65 -26.18 57.47 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 115.716 -0.675 . . . . 1.16 110.168 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -88.71 -49.58 6.77 Favored 'General case' 0 C--O 1.183 -2.402 0 N-CA-C 108.45 -0.945 . . . . 1.58 108.45 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.547 HG12 ' HA ' ' A' ' 60' ' ' ASP . 1.2 p -52.23 -21.96 2.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 C-N-CA 125.748 1.619 . . . . 0.73 112.742 -175.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.723 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 18.9 ptpt -61.38 -29.19 69.76 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.501 0.667 . . . . 0.87 110.14 177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -85.39 9.17 16.31 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.499 -0.773 . . . . 1.09 109.352 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.872 HD13 ' HA ' ' A' ' 72' ' ' ALA . 85.1 mt -124.17 39.25 4.01 Favored 'General case' 0 C--O 1.201 -1.45 0 CA-C-N 115.156 -0.929 . . . . 0.89 108.822 178.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' HA ' ' O1 ' ' A' ' 101' ' ' SXH . 9.3 ptpp? -36.16 -22.49 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.536 2.05 . . . . 2.81 116.536 177.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.658 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 67.3 p -113.26 165.23 12.62 Favored 'General case' 0 N--CA 1.433 -1.291 0 O-C-N 120.955 -1.091 . . . . 0.34 111.342 176.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.872 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 39.9 t -64.14 -46.22 94.2 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.055 0 N-CA-C 109.204 -0.665 . . . . 0.18 109.204 178.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -67.05 -27.13 73.34 Favored Glycine 0 N--CA 1.431 -1.685 0 CA-C-N 115.135 -0.939 . . . . 0.2 112.314 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.581 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 7.1 t0 -67.79 -45.69 74.08 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.631 -1.248 . . . . 0.62 107.631 178.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.872 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.28 -53.8 49.93 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 114.844 -1.071 . . . . 0.21 108.396 177.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.551 ' HA ' HG21 ' A' ' 7' ' ' ILE . 79.1 m -53.96 -33.25 56.4 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 115.009 -0.996 . . . . 0.28 111.176 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 5.5 tppt? -66.04 -52.87 45.21 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.019 -1.104 . . . . 2.01 108.019 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -64.99 -49.43 70.28 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-N 114.973 -1.012 . . . . 0.56 110.871 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.615 ' HB ' HD13 ' A' ' 7' ' ' ILE . 77.1 mt -60.33 -50.02 81.95 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 C-N-CA 123.975 0.91 . . . . 0.32 111.296 -177.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.64 -41.74 87.8 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.92 109.894 -177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -67.67 -35.88 79.68 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.369 -0.832 . . . . 0.68 111.237 -177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -96.77 6.11 49.3 Favored 'General case' 0 C--N 1.299 -1.587 0 CA-C-N 115.06 -0.973 . . . . 0.79 113.591 -175.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.416 HE21 HG22 ' A' ' 76' ' ' ILE . 79.4 mm-40 -47.99 118.46 2.37 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.466 0.707 . . . . 1.07 112.744 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.164 1.386 . . . . 2.75 112.821 176.626 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.904 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.525 0 N-CA-C 109.762 -0.458 . . . . 1.43 109.762 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.62 161.01 24.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.992 -0.549 . . . . 0.87 111.683 -176.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.732 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 34.7 p -120.59 -166.51 1.33 Allowed 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 107.568 -1.271 . . . . 0.82 107.568 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.86 -53.01 63.26 Favored 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 109.3 -0.63 . . . . 1.24 109.3 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -65.24 -40.55 94.19 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 116.309 -0.405 . . . . 2.43 111.395 -177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.732 ' HB2' ' H ' ' A' ' 3' ' ' THR . 51.4 mm-40 -65.99 -50.04 65.66 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.12 0.415 . . . . 2.07 112.12 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 96.0 mt -58.63 -52.22 62.38 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 N-CA-C 109.426 -0.583 . . . . 0.25 109.426 176.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG13 HG12 ' A' ' 26' ' ' VAL . 54.0 t -54.82 -51.19 54.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 O-C-N 124.164 0.915 . . . . 0.2 111.759 -178.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.3 -34.81 72.76 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.087 0.242 . . . . 0.28 111.542 -179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -74.39 -43.98 29.22 Favored Glycine 0 C--O 1.205 -1.67 0 N-CA-C 111.049 -0.821 . . . . 0.18 111.049 -178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 15' ' ' VAL . 83.0 mt -63.22 -49.71 73.13 Favored 'General case' 0 CA--C 1.501 -0.923 0 N-CA-C 108.383 -0.969 . . . . 0.26 108.383 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.51 -51.66 64.42 Favored 'General case' 0 C--O 1.2 -1.52 0 CA-C-N 115.013 -0.994 . . . . 0.15 112.315 -177.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -56.04 -33.1 64.65 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.219 0.463 . . . . 0.76 111.896 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.828 HG21 ' HA ' ' A' ' 46' ' ' VAL . 51.3 mt -73.68 -50.7 28.25 Favored 'Isoleucine or valine' 0 CA--C 1.563 1.454 0 N-CA-C 109.334 -0.617 . . . . 0.25 109.334 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.714 HG21 ' HE2' ' A' ' 32' ' ' PHE . 54.5 t -54.68 -39.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 124.378 1.071 . . . . 0.2 110.546 177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' OD1' HG13 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -53.5 -45.08 69.55 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.888 0.875 . . . . 0.85 110.395 178.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -83.13 -23.39 33.03 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.216 1.191 . . . . 2.35 114.216 -172.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD12 HG23 ' A' ' 46' ' ' VAL . 16.4 mt -105.91 -55.5 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 118.119 -1.432 . . . . 0.28 111.288 -179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -79.8 -38.22 33.5 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.161 0.505 . . . . 0.44 110.902 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.84 13.78 33.46 Favored Glycine 0 N--CA 1.425 -2.083 0 C-N-CA 120.262 -0.97 . . . . 0.27 112.485 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 36' ' ' LEU . 48.9 mm -82.2 118.85 73.45 Favored Pre-proline 0 N--CA 1.444 -0.746 0 N-CA-C 107.569 -1.271 . . . . 0.25 107.569 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -60.65 159.51 28.02 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 123.188 2.592 . . . . 0.33 112.207 -178.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -65.27 -22.06 30.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.247 0 CA-C-O 121.352 0.596 . . . . 0.9 110.788 -178.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -85.42 -4.84 59.29 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 114.954 -1.021 . . . . 2.99 111.611 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -103.28 -37.43 7.67 Favored 'General case' 0 N--CA 1.436 -1.15 0 C-N-CA 119.052 -1.059 . . . . 0.71 109.346 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG12 HG13 ' A' ' 8' ' ' VAL . 97.4 t -67.85 98.43 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.081 -1.081 . . . . 0.19 108.081 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -110.92 -97.65 0.41 Allowed 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 116.083 -0.508 . . . . 2.03 111.176 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.702 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 0.7 OUTLIER -146.06 -52.97 0.25 Allowed 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 119.318 -0.953 . . . . 1.2 110.398 173.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -89.93 51.99 2.19 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-O 122.85 1.309 . . . . 2.12 107.471 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.621 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.7 mmtt -125.35 96.46 4.83 Favored 'General case' 1 N--CA 1.375 -4.185 0 CA-C-N 112.211 -2.268 . . . . 1.38 105.437 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.777 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 22.8 t -65.99 119.17 10.88 Favored 'General case' 0 C--N 1.258 -3.396 0 N-CA-C 107.143 -1.429 . . . . 1.23 107.143 174.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.714 ' HE2' HG21 ' A' ' 15' ' ' VAL . 62.5 m-85 -53.62 -51.8 61.92 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.091 0.472 . . . . 0.28 110.419 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 p -81.88 41.85 0.68 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 124.854 1.261 . . . . 1.39 113.779 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.616 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 27.7 t70 -177.79 -49.89 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 CA-C-N 118.302 0.501 . . . . 0.59 112.292 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 31' ' ' SER . 2.1 m-20 -83.42 -52.25 6.68 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 123.946 0.898 . . . . 1.31 111.127 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD13 HG21 ' A' ' 21' ' ' ILE . 58.5 mt -76.36 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 115.121 -0.945 . . . . 0.41 110.721 -175.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' A' ' 36' ' ' LEU . 13.1 t70 154.2 63.21 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 125.83 1.652 . . . . 1.24 108.098 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.513 HG13 ' H ' ' A' ' 40' ' ' SER . 5.1 p -97.4 170.96 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.423 -1.807 0 C-N-CA 118.077 -1.449 . . . . 0.79 109.055 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' H ' HG22 ' A' ' 38' ' ' VAL . 20.0 p-10 -113.7 9.62 17.8 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 109.499 -0.556 . . . . 2.28 109.499 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.513 ' H ' HG13 ' A' ' 38' ' ' VAL . 80.6 p 62.66 -16.43 0.05 Allowed 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 126.624 1.97 . . . . 0.75 114.262 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' HB2' ' OD2' ' A' ' 39' ' ' ASP . 93.0 mt -86.74 -28.52 23.0 Favored 'General case' 0 CA--C 1.488 -1.43 0 N-CA-C 108.605 -0.887 . . . . 0.86 108.605 -174.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 59.2 m -61.44 -38.33 86.78 Favored 'General case' 0 N--CA 1.42 -1.953 0 N-CA-C 107.643 -1.243 . . . . 0.71 107.643 172.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.966 ' HG2' H43A ' A' ' 101' ' ' SXH . 13.0 tpp -66.48 -24.16 66.38 Favored 'General case' 0 CA--C 1.499 -1.016 0 CA-C-N 115.207 -0.906 . . . . 0.42 111.005 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.574 HG22 H31B ' A' ' 101' ' ' SXH . 48.4 t -66.05 -41.16 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.599 0 N-CA-C 108.705 -0.85 . . . . 0.49 108.705 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.467 ' HB2' HD13 ' A' ' 18' ' ' ILE . 29.3 mm-40 -83.55 -31.97 26.09 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.734 -0.469 . . . . 1.85 109.734 176.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 14' ' ' ILE . 70.3 t -59.73 -54.81 29.42 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.3 111.716 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.701 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.4 t -78.84 -30.14 14.57 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.105 0 C-N-CA 118.932 -1.107 . . . . 1.49 111.396 -170.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.67 -31.76 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.656 0.741 . . . . 0.84 110.089 174.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.497 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -77.09 -36.58 55.63 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-O 122.012 0.91 . . . . 0.25 108.732 176.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -67.0 -38.35 85.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.119 -0.946 . . . . 0.21 111.046 177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.701 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 94.5 mt-10 -55.21 -42.35 73.2 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 124.485 1.114 . . . . 0.73 109.907 178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.05 -50.65 39.03 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 113.905 -1.498 . . . . 2.46 109.12 -174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.519 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 16.5 ptp180 -76.62 -36.63 57.32 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 115.399 -0.819 . . . . 1.72 112.226 -172.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 31.4 m-85 -90.8 -6.26 54.54 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 116.14 -0.482 . . . . 0.34 110.543 -177.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 62.18 4.92 1.34 Allowed 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 125.78 1.632 . . . . 1.56 113.056 173.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.75 -33.23 4.22 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.99 0 N-CA-C 112.176 0.436 . . . . 1.16 112.176 -172.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.677 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 40.7 ttmt 67.88 110.64 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.119 1.155 . . . . 1.48 114.119 179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.594 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 2.2 mp -122.1 103.9 38.84 Favored Pre-proline 0 CA--C 1.502 -0.888 0 N-CA-C 106.072 -1.825 . . . . 0.52 106.072 175.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.8 142.06 96.02 Favored 'Trans proline' 0 C--N 1.315 -1.195 0 C-N-CA 121.943 1.762 . . . . 0.41 111.256 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.623 ' HA ' HG12 ' A' ' 63' ' ' VAL . 10.4 p-10 -54.3 -20.5 7.25 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.569 0.748 . . . . 0.95 112.376 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 19.9 t70 -82.17 -25.89 33.89 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.595 0.758 . . . . 1.16 110.674 176.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -88.32 -45.06 10.34 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 121.987 0.898 . . . . 1.58 108.994 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 60' ' ' ASP . 2.2 p -56.64 -20.77 11.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.341 0 CA-C-N 113.745 -1.571 . . . . 0.73 112.508 -177.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.762 ' HA ' ' S1 ' ' A' ' 101' ' ' SXH . 19.0 ptpt -58.51 -31.01 67.49 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 121.782 0.801 . . . . 0.87 110.278 176.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -78.95 0.8 26.04 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.128 -1.396 . . . . 1.09 108.948 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.866 HD13 ' HA ' ' A' ' 72' ' ' ALA . 65.9 mt -123.04 38.56 4.16 Favored 'General case' 0 C--O 1.206 -1.23 0 CA-C-N 115.729 -0.668 . . . . 0.89 109.472 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HA ' ' O1 ' ' A' ' 101' ' ' SXH . 19.3 ptpt -39.44 -23.36 0.01 OUTLIER 'General case' 0 CA--C 1.562 1.435 0 N-CA-C 116.42 2.007 . . . . 2.81 116.42 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.777 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 49.5 p -109.9 159.62 17.09 Favored 'General case' 0 N--CA 1.425 -1.693 0 O-C-N 121.241 -0.912 . . . . 0.34 111.001 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.702 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 16.4 t -59.11 -45.43 92.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.17 -0.612 . . . . 0.18 110.342 179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 74' ' ' LYS . . . -70.76 -19.61 76.85 Favored Glycine 0 C--N 1.306 -1.088 0 CA-C-N 115.236 -0.893 . . . . 0.2 112.511 -177.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.494 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 8.0 t0 -75.4 -46.46 32.75 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.806 -1.553 . . . . 0.62 106.806 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.866 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.47 -53.83 52.85 Favored 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 114.657 -1.156 . . . . 0.21 109.4 177.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 60.2 m -57.14 -28.63 62.91 Favored 'General case' 0 C--O 1.211 -0.972 0 CA-C-N 115.204 -0.907 . . . . 0.28 111.239 -179.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 70' ' ' GLY . 1.6 tppp? -68.33 -54.61 16.24 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.076 -1.083 . . . . 2.01 108.076 -179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -63.68 -42.54 98.01 Favored 'General case' 0 N--CA 1.435 -1.193 0 CA-C-N 114.911 -1.041 . . . . 0.56 110.655 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.525 HG12 HD11 ' A' ' 58' ' ' ILE . 67.9 mt -67.8 -43.57 86.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 115.398 -0.819 . . . . 0.32 111.476 -177.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.3 tt -72.93 -43.13 62.72 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.281 -0.637 . . . . 0.92 109.281 -177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.77 -37.17 73.19 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.409 -0.814 . . . . 0.68 110.292 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -96.58 5.66 50.29 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 114.325 1.231 . . . . 0.79 114.325 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.526 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 75.5 mm-40 -56.39 124.11 16.97 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 111.995 0.368 . . . . 1.07 111.995 178.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.142 1.377 . . . . 2.75 112.248 174.136 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.966 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.702 0 N-CA-C 108.549 -0.908 . . . . 1.43 108.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.47 131.12 43.56 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-O 121.506 0.67 . . . . 0.87 110.464 -178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.727 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 23.4 p -115.81 -161.89 0.81 Allowed 'General case' 0 C--N 1.28 -2.42 0 N-CA-C 107.697 -1.223 . . . . 0.82 107.697 -175.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.56 -56.12 23.98 Favored 'General case' 0 C--O 1.209 -1.073 0 CA-C-N 118.49 0.586 . . . . 1.24 109.937 178.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.18 -36.57 83.43 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.034 0.383 . . . . 2.43 112.034 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.727 ' HB2' ' H ' ' A' ' 3' ' ' THR . 8.7 mm-40 -70.66 -50.41 36.99 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 112.798 0.666 . . . . 2.07 112.798 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -61.6 -57.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 N-CA-C 109.781 -0.452 . . . . 0.25 109.781 176.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 26' ' ' VAL . 65.3 t -52.7 -53.42 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 124.099 0.874 . . . . 0.2 112.31 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.98 -25.44 67.1 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.707 -0.397 . . . . 0.28 111.584 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.11 -42.22 24.8 Favored Glycine 0 C--O 1.203 -1.796 0 N-CA-C 110.472 -1.051 . . . . 0.18 110.472 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 15' ' ' VAL . 66.0 mt -66.81 -47.44 72.07 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 108.238 -1.023 . . . . 0.26 108.238 176.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -54.25 -49.7 68.89 Favored 'General case' 0 CA--C 1.491 -1.303 0 CA-C-N 115.128 -0.942 . . . . 0.15 112.722 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.6 pt-20 -57.82 -34.18 69.4 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 117.885 0.311 . . . . 0.76 111.557 -178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 46' ' ' VAL . 42.2 mt -71.9 -48.86 48.5 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 109.29 -0.633 . . . . 0.25 109.29 177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.633 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -55.15 -40.04 53.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 123.688 0.795 . . . . 0.2 110.714 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 22' ' ' PRO . 8.8 m-80 -55.95 -34.99 66.18 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.52 1.128 . . . . 0.85 111.802 176.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 10.4 mm-40 -74.51 -48.39 27.43 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 116.288 -0.415 . . . . 2.35 111.432 -178.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.626 HG21 ' HA ' ' A' ' 42' ' ' SER . 18.3 mt -92.96 -55.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 119.69 -0.804 . . . . 0.28 112.008 -172.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.81 -49.35 10.49 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 120.449 -0.5 . . . . 0.44 111.282 -178.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.53 26.7 6.39 Favored Glycine 0 C--N 1.3 -1.47 0 C-N-CA 119.965 -1.112 . . . . 0.27 111.61 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.542 HG21 HD13 ' A' ' 36' ' ' LEU . 41.7 mm -87.43 112.61 49.39 Favored Pre-proline 0 CA--C 1.496 -1.104 0 N-CA-C 107.11 -1.441 . . . . 0.25 107.11 173.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.557 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 25.0 Cg_exo -59.76 156.5 37.49 Favored 'Trans proline' 0 C--O 1.244 0.799 0 C-N-CA 123.0 2.467 . . . . 0.33 113.791 -173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 34.5 m -59.09 -23.97 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 114.19 1.182 . . . . 0.9 114.19 -171.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -104.92 -3.71 23.02 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.132 -0.627 . . . . 2.99 112.485 -178.058 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -86.74 -33.9 19.82 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 107.47 -1.307 . . . . 0.71 107.47 177.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG12 HG13 ' A' ' 8' ' ' VAL . 89.2 t -63.8 102.48 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 114.802 -1.09 . . . . 0.19 108.087 171.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 69.3 mmtt -113.38 -104.94 0.4 Allowed 'General case' 0 C--O 1.206 -1.194 0 CA-C-N 116.108 -0.496 . . . . 2.03 112.252 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 68' ' ' THR . 88.1 mt -139.8 -49.0 0.47 Allowed 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.115 -1.069 . . . . 1.2 108.115 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.97 38.99 0.74 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 123.738 1.732 . . . . 2.12 107.643 -177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 69' ' ' VAL . 74.0 mmtt -128.42 92.51 3.45 Favored 'General case' 0 N--CA 1.381 -3.899 0 CA-C-N 113.84 -1.527 . . . . 1.38 107.509 -174.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 1.016 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 13.4 m -66.15 116.38 7.17 Favored 'General case' 0 C--N 1.273 -2.732 0 N-CA-C 105.762 -1.94 . . . . 1.23 105.762 173.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.729 ' CD2' ' H3A' ' A' ' 101' ' ' SXH . 61.9 m-85 -49.32 -53.12 23.69 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 113.65 0.981 . . . . 0.28 113.65 -178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.402 HG23 ' CG1' ' A' ' 38' ' ' VAL . 1.4 p -85.37 40.32 0.83 Allowed 'General case' 0 CA--C 1.554 1.121 0 CA-C-N 118.676 0.671 . . . . 1.39 112.611 175.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 1.016 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.5 t70 -159.77 -63.25 0.07 Allowed 'General case' 0 N--CA 1.476 0.855 0 O-C-N 121.875 -0.516 . . . . 0.59 111.895 -178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.84 -33.66 21.26 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.271 1.034 . . . . 1.31 110.332 -174.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD13 HG21 ' A' ' 21' ' ' ILE . 86.6 mt -93.63 -78.87 0.42 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 114.336 -1.302 . . . . 0.41 110.774 -177.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.8 t70 124.26 72.36 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 129.12 2.968 . . . . 1.24 111.375 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.608 HG22 ' HB2' ' A' ' 42' ' ' SER . 5.9 p -89.94 145.82 6.94 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.784 0 N-CA-C 105.482 -2.044 . . . . 0.79 105.482 173.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.51 24.64 2.2 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.782 -0.574 . . . . 2.28 112.278 -170.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.554 ' HB3' H28A ' A' ' 101' ' ' SXH . 10.4 m 68.4 -48.59 0.55 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 113.451 0.908 . . . . 0.75 113.451 -177.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.49 -16.31 59.68 Favored 'General case' 0 C--N 1.295 -1.77 0 C-N-CA 124.235 1.014 . . . . 0.86 109.637 -174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.626 ' HA ' HG21 ' A' ' 18' ' ' ILE . 1.8 m -72.77 -38.99 67.14 Favored 'General case' 0 N--CA 1.395 -3.195 0 N-CA-C 107.707 -1.219 . . . . 0.71 107.707 176.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.613 ' SD ' ' H5A' ' A' ' 101' ' ' SXH . 42.3 tpp -63.66 -32.68 74.24 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 115.544 -0.753 . . . . 0.42 111.135 -168.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 22.4 t -55.83 -61.61 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 114.873 -1.058 . . . . 0.49 108.69 177.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.501 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 6.1 mm-40 -71.08 -29.25 65.06 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.177 -0.92 . . . . 1.85 110.505 -176.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.77 ' HA ' HG21 ' A' ' 14' ' ' ILE . 76.1 t -64.1 -51.75 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 116.338 -0.392 . . . . 0.3 110.723 177.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG21 HG11 ' A' ' 63' ' ' VAL . 6.5 t -78.23 -31.8 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.728 0 C-N-CA 119.279 -0.968 . . . . 1.49 110.903 -173.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.481 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 86.3 t -65.77 -21.9 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-O 122.011 0.91 . . . . 0.84 110.648 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.517 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.97 -41.63 20.53 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 108.316 -0.994 . . . . 0.25 108.316 174.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.534 ' HA ' ' HG2' ' A' ' 53' ' ' ARG . . . -61.24 -41.14 96.37 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.037 -0.983 . . . . 0.21 111.354 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 61.8 mt-10 -57.1 -37.54 72.08 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 123.374 0.67 . . . . 0.73 110.187 179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -80.72 -47.42 14.01 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 114.793 -1.094 . . . . 2.46 111.505 -174.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 50' ' ' ALA . 14.7 ptm180 -74.7 -30.88 61.71 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.195 0.522 . . . . 1.72 111.293 -174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 54.6 m-85 -98.19 -10.57 23.88 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.174 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 t70 65.51 -5.23 0.49 Allowed 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 125.312 1.445 . . . . 1.56 112.855 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG11 HG23 ' A' ' 76' ' ' ILE . 7.5 p -79.18 -33.72 15.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 121.897 -0.502 . . . . 1.16 110.782 -169.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.596 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 35.1 ttmt 60.83 103.81 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.515 1.302 . . . . 1.48 114.515 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 1.4 mp -112.73 111.59 51.39 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 104.135 -2.542 . . . . 0.52 104.135 172.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.98 137.53 72.71 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 N-CA-C 108.525 -1.375 . . . . 0.41 108.525 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.674 ' HA ' HG12 ' A' ' 63' ' ' VAL . 4.0 p-10 -48.49 -35.54 13.3 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 118.738 0.699 . . . . 0.95 110.48 175.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 18.6 t70 -58.43 -34.84 71.25 Favored 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 123.041 0.536 . . . . 1.16 111.827 175.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -88.7 -36.76 16.0 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.119 0.485 . . . . 1.58 110.627 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.972 HG23 HD12 ' A' ' 66' ' ' LEU . 2.1 p -59.27 -20.49 18.15 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 123.871 0.868 . . . . 0.73 112.601 -176.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 61' ' ' ASP . 19.0 ptpt -59.6 -27.63 66.45 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.12 0.486 . . . . 0.87 110.02 175.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -75.54 -16.38 60.28 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-N 115.488 -0.778 . . . . 1.09 108.991 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG23 ' A' ' 63' ' ' VAL . 69.6 mt -98.58 37.25 1.51 Allowed 'General case' 0 C--O 1.188 -2.175 0 CA-C-N 115.557 -0.747 . . . . 0.89 109.531 -176.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 31' ' ' SER . 18.3 ptpt -33.97 -32.22 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.579 0 C-N-CA 125.907 1.683 . . . . 2.81 115.484 177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.607 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 44.4 p -109.14 159.67 16.71 Favored 'General case' 0 N--CA 1.429 -1.497 0 O-C-N 121.68 -0.638 . . . . 0.34 111.11 178.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.63 HG22 ' CE2' ' A' ' 32' ' ' PHE . 4.8 t -61.62 -36.89 76.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.517 0.675 . . . . 0.18 109.23 176.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' O ' ' HE2' ' A' ' 74' ' ' LYS . . . -69.39 -24.4 76.09 Favored Glycine 0 N--CA 1.44 -1.038 0 CA-C-N 114.95 -1.023 . . . . 0.2 111.898 -178.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' O ' HD22 ' A' ' 66' ' ' LEU . 1.9 t70 -77.26 -45.19 27.22 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 107.437 -1.32 . . . . 0.62 107.437 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.777 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.06 -50.6 72.25 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 115.67 -0.695 . . . . 0.21 109.531 174.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.509 ' HA ' HG21 ' A' ' 7' ' ' ILE . 27.1 m -63.69 -21.3 66.32 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.15 -0.932 . . . . 0.28 111.044 -179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 7.0 tppt? -73.8 -50.9 18.28 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 107.119 -1.437 . . . . 2.01 107.119 178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.539 ' CE1' HG13 ' A' ' 58' ' ' ILE . 19.3 t80 -62.38 -57.02 12.82 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 114.941 -1.027 . . . . 0.56 110.207 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.58 HG12 HD11 ' A' ' 58' ' ' ILE . 81.5 mt -60.9 -42.79 94.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.249 -0.887 . . . . 0.32 113.165 -172.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.0 tt -73.72 -40.77 63.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.299 0.571 . . . . 0.92 109.708 -176.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -70.23 -34.39 72.82 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.431 0.634 . . . . 0.68 110.874 -177.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.414 ' HB3' HG23 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -92.81 6.23 48.38 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.485 -0.779 . . . . 0.79 112.08 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.571 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 7.8 mm-40 -36.6 133.05 0.58 Allowed 'General case' 0 C--O 1.248 1.002 0 N-CA-C 115.613 1.708 . . . . 1.07 115.613 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.506 0 CA-C-N 113.702 -1.59 . . . . 2.75 108.984 175.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.759 ' H4A' ' HB2' ' A' ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.558 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.244 0.793 0 CA-C-O 121.198 0.523 . . . . 1.43 111.456 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 6' ' ' GLU . . . -86.87 -177.02 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.542 0.737 . . . . 0.87 109.899 176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.725 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 40.0 p -124.92 -170.75 2.22 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 108.049 -1.093 . . . . 0.82 108.049 -177.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -54.63 43.52 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.42 -37.93 89.24 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.521 -0.309 . . . . 2.43 111.185 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.725 ' HB2' ' H ' ' A' ' 3' ' ' THR . 29.5 mm-40 -67.55 -44.63 77.83 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 112.255 0.465 . . . . 2.07 112.255 -177.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' HA ' ' CE1' ' A' ' 54' ' ' PHE . 94.3 mt -61.18 -47.05 95.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.598 0 N-CA-C 109.322 -0.621 . . . . 0.25 109.322 175.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG13 HG12 ' A' ' 26' ' ' VAL . 54.7 t -56.62 -52.4 54.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.54 -0.755 . . . . 0.2 110.712 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.18 -36.52 80.07 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 116.32 -0.4 . . . . 0.28 111.76 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA3' ' HZ ' ' A' ' 54' ' ' PHE . . . -70.39 -42.37 65.18 Favored Glycine 0 N--CA 1.435 -1.415 0 N-CA-C 110.942 -0.863 . . . . 0.18 110.942 -178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.98 -44.94 91.19 Favored 'General case' 0 CA--C 1.502 -0.893 0 N-CA-C 109.248 -0.649 . . . . 0.26 109.248 176.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -59.01 -46.56 87.88 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 115.619 -0.719 . . . . 0.15 110.34 -178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.61 -42.44 44.83 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 125.587 1.555 . . . . 0.76 110.539 178.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.895 HG21 ' HA ' ' A' ' 46' ' ' VAL . 37.1 mt -74.21 -51.2 24.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 115.518 -0.764 . . . . 0.25 109.742 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 32' ' ' PHE . 56.3 t -54.8 -33.41 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.724 1.21 . . . . 0.2 111.413 177.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.19 -45.96 86.65 Favored 'General case' 0 CA--C 1.503 -0.844 0 C-N-CA 122.645 0.378 . . . . 0.85 110.412 176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -75.1 -39.9 60.35 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 113.197 0.814 . . . . 2.35 113.197 -174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.561 HD13 ' HB2' ' A' ' 45' ' ' GLU . 3.0 mt -97.77 -55.27 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 118.391 -1.324 . . . . 0.28 111.622 -174.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' ' 38' ' ' VAL . . . -73.63 -48.91 28.95 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-O 121.275 0.559 . . . . 0.44 110.806 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.5 12.76 20.61 Favored Glycine 0 N--CA 1.419 -2.454 0 CA-C-N 115.319 -0.855 . . . . 0.27 111.177 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.64 HG21 HD13 ' A' ' 36' ' ' LEU . 45.7 mm -85.39 114.98 59.44 Favored Pre-proline 0 CA--C 1.497 -1.075 0 N-CA-C 107.928 -1.138 . . . . 0.25 107.928 176.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 21' ' ' ILE . 24.1 Cg_exo -64.62 165.58 20.22 Favored 'Trans proline' 0 C--O 1.243 0.763 0 C-N-CA 123.483 2.788 . . . . 0.33 112.892 -176.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -72.37 -7.63 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 112.44 0.533 . . . . 0.9 112.44 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 6.1 pt-20 -85.68 -28.09 24.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.271 -0.422 . . . . 2.99 110.715 175.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.72 -39.98 13.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.077 -0.51 . . . . 0.71 110.397 -171.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG12 HG13 ' A' ' 8' ' ' VAL . 97.5 t -62.89 95.86 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.664 0.745 . . . . 0.19 110.987 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' HE2' ' O ' ' A' ' 24' ' ' GLU . 74.8 mmtt -116.92 158.38 24.14 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 105.249 -2.13 . . . . 2.03 105.249 173.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.865 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.7 pt? -61.01 -34.28 74.57 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 114.198 1.184 . . . . 1.2 114.198 -172.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -78.9 -0.82 32.33 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 122.241 1.019 . . . . 2.12 110.285 -176.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' O ' HG23 ' A' ' 69' ' ' VAL . 73.9 mmtt -91.93 108.09 19.68 Favored 'General case' 0 N--CA 1.397 -3.098 0 N-CA-C 108.493 -0.929 . . . . 1.38 108.493 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.775 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 31.4 t -68.42 111.75 4.85 Favored 'General case' 0 C--N 1.262 -3.221 0 N-CA-C 107.16 -1.422 . . . . 1.23 107.16 171.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 15' ' ' VAL . 57.8 m-85 -40.48 -62.67 0.74 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 112.649 0.611 . . . . 0.28 112.649 175.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.4 47.45 0.82 Allowed 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 124.98 1.312 . . . . 1.39 112.192 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.775 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 14.1 t70 -176.4 -58.17 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 CA-C-O 121.229 0.537 . . . . 0.59 112.271 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -36.57 14.95 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 115.389 -0.823 . . . . 1.31 111.414 -172.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.64 HD13 HG21 ' A' ' 21' ' ' ILE . 83.8 mt -88.15 -90.82 0.12 Allowed 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.866 -1.061 . . . . 0.41 109.447 -178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' HB3' HD11 ' A' ' 21' ' ' ILE . 37.3 t70 151.61 71.74 0.0 OUTLIER 'General case' 0 CA--C 1.494 -1.174 0 C-N-CA 126.872 2.069 . . . . 1.24 108.971 177.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 19' ' ' ALA . 5.6 p -96.18 157.56 3.19 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.655 0 N-CA-C 106.192 -1.781 . . . . 0.79 106.192 173.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -103.01 14.2 32.49 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 107.4 -1.333 . . . . 2.28 107.4 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.438 ' H ' HG13 ' A' ' 38' ' ' VAL . 72.3 p 60.03 -19.95 0.03 OUTLIER 'General case' 0 C--O 1.213 -0.857 0 C-N-CA 128.339 2.655 . . . . 0.75 115.167 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -77.28 -21.46 53.56 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.783 0.802 . . . . 0.86 109.007 -174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -74.04 -26.18 60.27 Favored 'General case' 0 N--CA 1.4 -2.964 0 CA-C-N 114.577 -1.192 . . . . 0.71 108.963 177.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.452 ' HG2' H43A ' A' ' 101' ' ' SXH . 33.4 tpp -64.64 -28.74 69.82 Favored 'General case' 0 C--O 1.196 -1.727 0 CA-C-N 115.547 -0.751 . . . . 0.42 110.993 -173.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 64.3 t -60.09 -45.55 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-O 121.414 0.626 . . . . 0.49 109.45 176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' HB2' HD13 ' A' ' 18' ' ' ILE . 39.8 mt-10 -74.33 -33.74 63.24 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.947 -0.569 . . . . 1.85 110.358 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.895 ' HA ' HG21 ' A' ' 14' ' ' ILE . 49.8 t -62.18 -35.86 71.24 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.085 0 N-CA-C 108.826 -0.805 . . . . 0.3 108.826 177.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.623 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 3.7 t -61.47 -64.11 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.498 -1.032 0 C-N-CA 125.085 1.354 . . . . 1.49 110.432 176.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.7 t -61.3 -21.71 25.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.526 0.679 . . . . 0.84 112.239 -175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -81.52 -47.74 12.72 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.644 -0.707 . . . . 0.25 109.25 175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.09 -36.2 83.24 Favored 'General case' 0 C--O 1.213 -0.851 0 C-N-CA 123.261 0.624 . . . . 0.21 111.777 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 73.2 mt-10 -61.65 -40.38 94.7 Favored 'General case' 0 CA--C 1.492 -1.287 0 N-CA-C 108.818 -0.808 . . . . 0.73 108.818 179.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.52 -44.87 27.25 Favored 'General case' 0 N--CA 1.425 -1.695 0 CA-C-N 113.491 -1.686 . . . . 2.46 110.041 -172.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 49' ' ' ALA . 7.6 ptp180 -84.4 -20.9 31.12 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 112.891 0.7 . . . . 1.72 112.891 -174.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.547 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.5 m-85 -105.11 -9.27 17.9 Favored 'General case' 0 C--N 1.305 -1.335 0 C-N-CA 120.318 -0.553 . . . . 0.34 111.481 -178.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 63.72 7.44 3.16 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.488 1.115 . . . . 1.56 112.783 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 p -97.04 -37.11 6.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.668 -0.413 . . . . 1.16 110.866 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.514 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 38.3 ttmt 68.46 115.63 0.04 OUTLIER 'General case' 0 C--O 1.24 0.554 0 N-CA-C 114.192 1.182 . . . . 1.48 114.192 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.652 HG21 HD11 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -131.37 98.4 18.5 Favored Pre-proline 0 CA--C 1.485 -1.52 0 N-CA-C 105.855 -1.905 . . . . 0.52 105.855 172.185 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -58.28 153.48 46.54 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.755 1.637 . . . . 0.41 109.712 175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.431 ' HA ' HG21 ' A' ' 47' ' ' VAL . 7.2 p-10 -54.78 -28.69 50.85 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.503 ' O ' ' HE3' ' A' ' 64' ' ' LYS . 16.6 t70 -67.89 -34.5 76.78 Favored 'General case' 0 C--O 1.207 -1.136 0 CA-C-O 122.29 1.043 . . . . 1.16 110.297 176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -86.87 -22.2 25.9 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 122.402 1.096 . . . . 1.58 108.304 -175.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.429 ' HB ' ' HA ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -68.61 -21.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.384 0 CA-C-N 113.677 -1.601 . . . . 0.73 111.678 177.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 61' ' ' ASP . 17.8 ptpt -56.76 -27.51 59.58 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.472 0.653 . . . . 0.87 111.047 177.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -73.62 -32.09 63.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.423 -0.955 . . . . 1.09 108.423 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.747 HD13 ' HA ' ' A' ' 72' ' ' ALA . 23.4 mt -93.73 37.11 1.07 Allowed 'General case' 0 C--O 1.191 -1.978 0 CA-C-N 114.702 -1.135 . . . . 0.89 111.061 -169.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -38.0 -23.99 0.01 OUTLIER 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.636 1.574 . . . . 2.81 114.939 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.714 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 43.8 p -116.13 170.7 8.31 Favored 'General case' 0 N--CA 1.424 -1.745 0 O-C-N 121.646 -0.659 . . . . 0.34 111.212 176.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.865 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 14.9 t -71.93 -40.58 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.251 0 N-CA-C 108.887 -0.782 . . . . 0.18 108.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -65.91 -31.64 80.24 Favored Glycine 0 CA--C 1.489 -1.551 0 CA-C-N 115.299 -0.864 . . . . 0.2 112.654 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 4.7 t70 -70.54 -40.64 73.32 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.369 -0.974 . . . . 0.62 108.369 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -63.19 -49.97 72.14 Favored 'General case' 0 CA--C 1.487 -1.448 0 CA-C-N 114.967 -1.015 . . . . 0.21 108.543 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 39.5 m -60.92 -21.84 63.79 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.029 -0.987 . . . . 0.28 111.135 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.455 ' HE2' ' O ' ' A' ' 70' ' ' GLY . 4.1 tppt? -71.1 -55.19 8.74 Favored 'General case' 0 N--CA 1.443 -0.825 0 N-CA-C 107.784 -1.191 . . . . 2.01 107.784 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -66.43 -45.02 81.26 Favored 'General case' 0 N--CA 1.435 -1.221 0 CA-C-N 115.225 -0.898 . . . . 0.56 110.74 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.51 HG22 HE21 ' A' ' 80' ' ' GLN . 84.8 mt -65.34 -49.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.901 -0.591 . . . . 0.32 112.293 -177.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.643 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 4.7 tt -69.78 -48.15 60.26 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 118.152 0.433 . . . . 0.92 110.485 -175.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.64 -32.23 72.37 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.47 0.652 . . . . 0.68 111.403 -177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -101.19 7.1 43.25 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 115.238 -0.892 . . . . 0.79 112.901 -176.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.643 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 49.7 mm-40 -44.89 147.76 0.62 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.713 1.746 . . . . 1.07 115.713 -179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.673 0 CA-C-N 114.01 -1.45 . . . . 2.75 107.159 175.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.452 ' H6B' HD22 ' A' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.542 0 N-CA-C 109.308 -0.627 . . . . 1.43 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.441 ' HB3' ' NE2' ' A' ' 80' ' ' GLN . . . -90.94 168.87 11.36 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.132 -0.692 . . . . 0.87 109.132 176.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.805 ' H ' ' HB2' ' A' ' 6' ' ' GLU . 64.9 p -121.18 -169.59 1.87 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 105.657 -1.979 . . . . 0.82 105.657 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.52 ' HA ' ' CG2' ' A' ' 73' ' ' THR . 0.7 OUTLIER -61.69 -55.48 29.9 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 107.473 -1.306 . . . . 1.24 107.473 176.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -64.57 -35.71 81.88 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.705 -1.134 . . . . 2.43 111.562 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.805 ' HB2' ' H ' ' A' ' 3' ' ' THR . 1.1 mp0 -70.26 -43.64 70.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.215 -0.448 . . . . 2.07 111.695 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.611 ' HA ' ' CZ ' ' A' ' 54' ' ' PHE . 92.1 mt -59.28 -50.92 78.06 Favored 'Isoleucine or valine' 0 C--N 1.346 0.425 0 N-CA-C 109.278 -0.638 . . . . 0.25 109.278 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.481 HG13 HG12 ' A' ' 26' ' ' VAL . 66.9 t -49.08 -57.31 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 O-C-N 124.163 0.914 . . . . 0.2 111.034 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.18 -27.63 69.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.139 0.422 . . . . 0.28 112.139 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.82 -39.26 29.14 Favored Glycine 0 C--O 1.207 -1.573 0 N-CA-C 110.379 -1.088 . . . . 0.18 110.379 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 15' ' ' VAL . 71.9 mt -67.21 -46.79 72.81 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.875 -1.157 . . . . 0.26 107.875 175.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.61 -48.16 75.35 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 114.863 -1.062 . . . . 0.15 112.376 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -59.73 -23.93 63.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.971 0.415 . . . . 0.76 111.545 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.804 HG21 ' HA ' ' A' ' 46' ' ' VAL . 52.0 mt -81.58 -53.27 12.47 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 N-CA-C 108.851 -0.796 . . . . 0.25 108.851 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.651 HG21 ' HE1' ' A' ' 32' ' ' PHE . 34.1 t -52.27 -40.95 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.405 1.082 . . . . 0.2 110.926 179.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -52.77 -33.99 51.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.531 0.733 . . . . 0.85 112.341 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.93 -44.36 20.48 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 116.31 -0.405 . . . . 2.35 110.977 -175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HA ' ' A' ' 42' ' ' SER . 6.1 mt -97.3 -55.1 6.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 119.704 -0.799 . . . . 0.28 111.933 -171.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 38' ' ' VAL . . . -83.31 -29.83 28.01 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.355 0.598 . . . . 0.44 110.526 -178.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.25 19.6 54.8 Favored Glycine 0 N--CA 1.42 -2.385 0 CA-C-N 115.243 -0.89 . . . . 0.27 112.478 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 36' ' ' LEU . 30.4 mm -81.89 113.47 43.19 Favored Pre-proline 0 N--CA 1.436 -1.142 0 N-CA-C 107.214 -1.402 . . . . 0.25 107.214 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.01 159.04 31.28 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 122.984 2.456 . . . . 0.33 112.449 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.429 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 36.0 m -68.61 -9.07 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 121.269 0.556 . . . . 0.9 111.163 -178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -83.79 -34.35 24.78 Favored 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 115.048 -0.978 . . . . 2.99 109.882 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -88.89 -33.91 17.15 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 115.937 -0.574 . . . . 0.71 110.965 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 HG12 HG13 ' A' ' 8' ' ' VAL . 89.1 t -61.54 95.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.613 0 CA-C-O 121.31 0.576 . . . . 0.19 110.305 174.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -121.86 163.33 19.38 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 106.516 -1.661 . . . . 2.03 106.516 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' HA ' ' HB ' ' A' ' 69' ' ' VAL . 1.1 pp -65.92 -25.38 67.12 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 118.595 0.634 . . . . 1.2 112.374 -169.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -83.07 -1.99 54.2 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 123.752 0.821 . . . . 2.12 110.093 -175.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' O ' HG23 ' A' ' 69' ' ' VAL . 22.5 mmtp -95.2 116.31 28.58 Favored 'General case' 0 N--CA 1.389 -3.505 0 CA-C-O 121.665 0.745 . . . . 1.38 110.371 -171.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.736 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 15.0 m -71.8 103.91 3.26 Favored 'General case' 0 C--N 1.258 -3.384 0 N-CA-C 106.775 -1.565 . . . . 1.23 106.775 169.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.661 ' CE2' HG22 ' A' ' 69' ' ' VAL . 41.8 m-85 -38.22 -62.7 0.55 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 114.39 1.256 . . . . 0.28 114.39 178.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.95 40.6 0.47 Allowed 'General case' 0 CA--C 1.566 1.577 0 C-N-CA 124.859 1.264 . . . . 1.39 111.586 -178.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 11.1 t70 -161.54 -68.33 0.06 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.236 0.541 . . . . 0.59 110.63 -177.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.488 ' CG ' ' HD2' ' A' ' 30' ' ' LYS . 13.6 t70 -75.92 -48.98 19.14 Favored 'General case' 0 CA--C 1.493 -1.219 0 CA-C-O 122.113 0.959 . . . . 1.31 110.66 -174.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 32' ' ' PHE . 75.6 mt -79.46 -71.03 0.47 Allowed 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 113.506 -1.679 . . . . 0.41 110.479 -174.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.28 31.3 t70 118.25 70.92 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.649 2.78 . . . . 1.24 112.119 177.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 9.8 p -89.65 150.39 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 106.503 -1.665 . . . . 0.79 106.503 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 41' ' ' LEU . 6.0 m-20 -87.57 8.3 25.74 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 110.2 -0.296 . . . . 2.28 110.2 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.635 ' HB2' ' C28' ' A' ' 101' ' ' SXH 0.425 52.5 p 56.4 -21.55 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.195 0 N-CA-C 116.404 2.001 . . . . 0.75 116.404 -172.039 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' HA ' HG23 ' A' ' 44' ' ' VAL . 98.4 mt -77.73 -23.49 49.36 Favored 'General case' 0 CA--C 1.488 -1.413 0 N-CA-C 107.564 -1.273 . . . . 0.86 107.564 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.598 ' HA ' HG21 ' A' ' 18' ' ' ILE . 3.8 m -62.67 -41.14 98.93 Favored 'General case' 0 N--CA 1.408 -2.538 0 N-CA-C 106.652 -1.61 . . . . 0.71 106.652 173.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.606 ' HA ' ' HB ' ' A' ' 46' ' ' VAL . 39.8 tpp -66.98 -25.22 66.21 Favored 'General case' 0 N--CA 1.432 -1.343 0 CA-C-N 114.417 -1.265 . . . . 0.42 110.241 -172.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 HG22 ' O33' ' A' ' 101' ' ' SXH . 41.3 t -63.19 -40.13 87.87 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 N-CA-C 108.457 -0.942 . . . . 0.49 108.457 179.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.415 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 59.9 mm-40 -84.29 -40.14 18.34 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.999 -0.546 . . . . 1.85 110.524 176.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.804 ' HA ' HG21 ' A' ' 14' ' ' ILE . 81.0 t -55.47 -45.43 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 O-C-N 123.762 0.664 . . . . 0.3 111.66 -175.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.63 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 2.9 t -80.07 -35.13 15.63 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.833 0 C-N-CA 119.526 -0.87 . . . . 1.49 111.098 -174.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.93 -32.05 56.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.831 0.824 . . . . 0.84 109.823 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' HD13 ' A' ' 14' ' ' ILE . . . -71.63 -44.55 64.16 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 108.178 -1.045 . . . . 0.25 108.178 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.98 82.23 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.378 -0.828 . . . . 0.21 111.078 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.63 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 85.9 mt-10 -55.68 -47.97 75.86 Favored 'General case' 0 CA--C 1.485 -1.553 0 C-N-CA 123.772 0.829 . . . . 0.73 109.51 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -47.74 54.39 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 113.927 -1.488 . . . . 2.46 109.141 -170.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -75.78 -35.26 60.17 Favored 'General case' 0 N--CA 1.428 -1.54 0 CA-C-N 115.89 -0.596 . . . . 1.72 112.019 -173.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.611 ' CZ ' ' HA ' ' A' ' 7' ' ' ILE . 58.9 m-85 -90.9 -6.77 53.72 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 120.686 -0.406 . . . . 0.34 111.452 -178.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.2 t70 70.58 -4.79 1.56 Allowed 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 124.58 1.152 . . . . 1.56 112.169 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 p -93.56 -32.9 4.96 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 CA-C-N 116.115 -0.493 . . . . 1.16 112.159 -167.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.626 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 4.2 ttmp? 66.05 108.93 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.378 1.622 . . . . 1.48 115.378 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD11 HG12 ' A' ' 76' ' ' ILE . 2.4 mp -117.03 116.33 37.9 Favored Pre-proline 0 C--O 1.208 -1.124 0 N-CA-C 104.873 -2.269 . . . . 0.52 104.873 172.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.63 142.6 65.01 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 N-CA-C 108.361 -1.438 . . . . 0.41 108.361 174.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.1 p-10 -54.78 -26.65 35.96 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 118.599 0.636 . . . . 0.95 111.124 177.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.464 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 10.0 m-20 -72.77 -24.17 60.91 Favored 'General case' 0 C--O 1.216 -0.7 0 O-C-N 121.946 -0.471 . . . . 1.16 110.715 176.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -88.66 -34.11 17.35 Favored 'General case' 0 C--N 1.31 -1.125 0 N-CA-C 109.248 -0.649 . . . . 1.58 109.248 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.549 HG11 HG21 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -56.88 -20.87 12.96 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 C-N-CA 124.273 1.029 . . . . 0.73 112.613 -178.688 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' HB3' H37A ' A' ' 101' ' ' SXH . 19.0 ptpt -55.5 -31.85 62.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.836 172.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -76.71 -6.78 53.57 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.564 -0.744 . . . . 1.09 109.694 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.803 HD13 ' HA ' ' A' ' 72' ' ' ALA . 55.1 mt -115.72 38.79 3.19 Favored 'General case' 0 C--O 1.201 -1.449 0 CA-C-N 116.004 -0.544 . . . . 0.89 109.84 -175.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -35.54 -24.57 0.01 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 N-CA-C 115.877 1.806 . . . . 2.81 115.877 173.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 71' ' ' ASP . 61.1 p -117.87 167.59 11.27 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 120.997 -1.064 . . . . 0.34 111.795 175.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.691 ' HB ' ' HA ' ' A' ' 28' ' ' LEU . 38.8 t -62.7 -48.57 87.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.873 -0.603 . . . . 0.18 109.766 177.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.439 ' CA ' ' HB2' ' A' ' 28' ' ' LEU . . . -68.32 -21.8 74.31 Favored Glycine 0 CA--C 1.494 -1.238 0 CA-C-N 115.47 -0.786 . . . . 0.2 112.478 -178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' HB2' ' OG1' ' A' ' 68' ' ' THR . 4.6 t0 -70.94 -48.97 50.57 Favored 'General case' 0 CA--C 1.505 -0.783 0 N-CA-C 107.527 -1.286 . . . . 0.62 107.527 178.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.803 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.58 -52.92 62.97 Favored 'General case' 0 CA--C 1.475 -1.919 0 CA-C-N 114.755 -1.111 . . . . 0.21 108.888 176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.52 ' CG2' ' HA ' ' A' ' 4' ' ' GLN . 59.7 m -57.94 -28.73 64.57 Favored 'General case' 0 N--CA 1.424 -1.769 0 CA-C-N 114.44 -1.255 . . . . 0.28 111.741 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 74' ' ' LYS . 6.1 tppt? -70.47 -46.56 63.54 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.826 -1.176 . . . . 2.01 107.826 -178.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -70.04 -46.08 65.77 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.208 -0.905 . . . . 0.56 110.513 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.645 HG12 HD11 ' A' ' 58' ' ' ILE . 78.8 mt -65.45 -48.43 83.02 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 115.57 -0.741 . . . . 0.32 111.847 -177.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 67.3 tp -66.26 -42.76 88.04 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.05 0.452 . . . . 0.92 110.699 -177.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -62.33 -33.38 74.58 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.973 0.892 . . . . 0.68 110.424 -179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -98.0 6.02 48.12 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-N 114.798 -1.092 . . . . 0.79 113.388 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.674 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 67.8 mm-40 -48.53 125.5 9.91 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 112.265 0.469 . . . . 1.07 112.265 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 O-C-N 124.77 1.294 . . . . 2.75 111.58 179.078 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SXH . . . . . 0.635 ' C28' ' HB2' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_