data_2l60_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 2l60 _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 ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 2.9 tmtt? . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.919 0.39 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -118.77 56.48 0.89 Allowed 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.25 -0.906 . . . . 0.0 110.524 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -43.33 92.67 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.491 1.117 . . . . 0.0 112.166 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -64.23 -52.99 56.07 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.767 -0.583 . . . . 0.0 111.447 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -33.43 67.11 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.665 177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -41.35 51.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.171 0.989 . . . . 0.0 112.343 173.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -46.59 83.95 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.021 0.528 . . . . 0.0 110.775 174.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -19.87 65.25 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.675 0.79 . . . . 0.0 112.766 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 -56.45 3.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.399 1.88 . . . . 0.0 111.067 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.63 -36.51 67.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.62 0.645 . . . . 0.0 110.418 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.243 1.017 . . . . 0.0 113.691 173.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -48.07 11.04 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.623 0.647 . . . . 0.0 111.342 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -40.81 65.39 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.884 0.874 . . . . 0.0 111.577 174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -18.52 1.04 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.146 1.378 . . . . 0.0 113.945 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.95 3.44 2.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.0 -20.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 126.534 1.933 . . . . 0.0 112.022 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -25.42 11.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.024 0.93 . . . . 0.0 111.677 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -13.53 2.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.351 1.86 . . . . 0.0 114.582 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -136.07 9.18 3.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.482 2.313 . . . . 0.0 113.362 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 63.56 0.46 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.755 1.622 . . . . 0.0 110.652 -175.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.11 -33.16 59.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.656 0.782 . . . . 0.0 112.794 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 118.958 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 68.87 0.78 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.37 1.068 . . . . 0.0 110.039 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -38.41 67.0 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.037 -1.039 . . . . 0.0 110.781 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.33 25.26 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.99 72.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.18 0.992 . . . . 0.0 111.002 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 123.812 0.845 . . . . 0.0 111.194 172.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -34.93 77.41 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.362 -0.836 . . . . 0.0 110.9 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.04 -7.81 56.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.067 0.947 . . . . 0.0 113.298 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -94.99 -52.95 4.01 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.516 1.927 . . . . 0.0 110.912 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.73 -30.99 62.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.073 0.949 . . . . 0.0 111.322 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -43.85 78.64 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -35.29 61.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.41 4.76 12.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.151 1.38 . . . . 0.0 112.772 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -52.0 -18.16 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.634 1.574 . . . . 0.0 113.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.41 12.69 2.15 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.2 t -92.06 -28.7 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.472 1.109 . . . . 0.0 112.383 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -81.89 -40.66 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -59.94 -10.69 4.34 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.15 7.96 3.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.492 1.917 . . . . 0.0 113.347 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -167.76 71.29 0.1 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.088 1.355 . . . . 0.0 111.665 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -158.94 -174.22 4.64 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.285 -0.884 . . . . 0.0 111.761 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.687 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.2 -62.66 0.45 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.868 1.667 . . . . 0.0 112.097 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.01 -39.38 19.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.33 1.852 . . . . 0.0 112.222 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -73.0 -52.23 15.22 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 125.378 1.471 . . . . 0.0 110.894 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.88 -46.95 71.5 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.147 0.979 . . . . 0.0 110.456 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -53.6 -36.49 62.01 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.896 0.771 . . . . 0.0 112.95 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -43.2 74.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.123 0.969 . . . . 0.0 112.037 174.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -67.22 -17.96 65.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.167 0.987 . . . . 0.0 113.172 171.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.12 -52.03 6.23 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 125.981 1.713 . . . . 0.0 110.749 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -27.56 53.75 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.217 -0.42 . . . . 0.0 111.424 177.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -50.87 65.74 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.205 1.002 . . . . 0.0 113.592 169.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -32.84 73.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.881 0.873 . . . . 0.0 111.372 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.9 mt -70.22 -53.69 15.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.239 0.615 . . . . 0.0 112.034 174.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -15.03 44.57 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.279 -1.513 . . . . 0.0 113.187 172.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 14.87 4.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -104.03 -15.26 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.821 1.649 . . . . 0.0 112.225 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -107.66 -36.11 6.52 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.727 -1.233 . . . . 0.0 112.554 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -16.87 17.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.321 1.448 . . . . 0.0 114.457 173.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.62 14.24 11.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.98 2.112 . . . . 0.0 112.512 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 62.07 25.57 15.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.184 1.393 . . . . 0.0 114.098 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.6 -52.27 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.191 2.596 . . . . 0.0 113.999 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.42 -2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.5 p90 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.65 66.3 9.41 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.511 -1.368 . . . . 0.0 111.943 -175.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -48.75 77.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.3 1.04 . . . . 0.0 112.484 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -43.63 82.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.977 0.511 . . . . 0.0 111.521 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.91 -39.28 93.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.759 0.423 . . . . 0.0 111.188 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -30.74 24.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.349 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -39.65 94.08 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 173.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -11.98 60.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 171.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.73 -54.63 4.15 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.878 1.271 . . . . 0.0 110.023 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.67 -30.32 55.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.442 1.097 . . . . 0.0 111.904 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -64.03 0.94 Allowed 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 124.2 1.0 . . . . 0.0 112.746 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -20.92 66.62 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.471 0.578 . . . . 0.0 112.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.4 tp -58.03 -36.39 72.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.348 -1.47 . . . . 0.0 111.506 170.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 2.9 tmtt? -54.67 -17.48 3.43 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.457 1.026 . . . . 0.0 112.922 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt -107.86 17.49 22.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 60.2 t -120.82 -112.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.189 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -32.94 71.32 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.826 1.65 . . . . 0.0 111.644 -177.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -7.86 31.58 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.165 0.986 . . . . 0.0 113.334 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 13.71 7.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.762 2.025 . . . . 0.0 112.927 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 54.48 57.18 6.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.871 1.268 . . . . 0.0 112.672 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 2.1 t80 -39.41 92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.877 2.071 . . . . 0.0 115.272 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.397 -2.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.9 p90 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -61.09 0.06 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.12 0.968 . . . . 0.0 110.832 172.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -70.71 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.785 2.034 . . . . 0.0 114.035 176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -42.28 66.75 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.422 -0.799 . . . . 0.0 113.017 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.2 -51.52 69.39 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.347 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 mt -51.19 -38.56 53.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.52 1.055 . . . . 0.0 111.833 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -47.92 75.29 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.195 0.598 . . . . 0.0 111.847 173.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -63.95 -17.77 63.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.139 1.375 . . . . 0.0 114.328 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -53.93 4.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.387 1.875 . . . . 0.0 110.341 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.87 -41.89 98.41 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.951 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.12 -21.45 61.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.29 -73.31 0.31 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.485 1.039 . . . . 0.0 109.398 170.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -23.01 41.93 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -173.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -48.49 -21.11 0.5 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.532 1.933 . . . . 0.0 113.078 168.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.59 -36.42 5.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.2 t -70.9 2.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.57 1.948 . . . . 0.0 112.091 176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.75 -16.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.494 1.918 . . . . 0.0 113.781 154.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 31.16 5.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.288 1.035 . . . . 0.0 110.557 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 57.53 13.01 1.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.608 -170.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -163.36 70.38 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.117 0.871 . . . . 0.0 113.147 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 56.9 -39.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 127.302 2.241 . . . . 0.0 116.345 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.83 0 O-C-N 118.012 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 117.715 -1.136 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp 47.99 43.16 17.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.658 1.983 . . . . 0.0 114.412 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -51.97 60.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.413 1.085 . . . . 0.0 112.814 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.02 -50.75 63.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.777 0.831 . . . . 0.0 111.22 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -47.46 86.17 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.165 0.986 . . . . 0.0 111.065 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.61 -43.75 62.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.024 0.93 . . . . 0.0 112.027 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -61.87 -46.17 90.58 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.317 0.647 . . . . 0.0 111.59 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.42 -12.7 54.84 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -51.41 5.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.748 2.019 . . . . 0.0 111.355 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.06 -39.29 69.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.184 0.594 . . . . 0.0 109.889 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -47.52 82.47 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.145 -0.931 . . . . 0.0 112.303 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -40.08 89.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.058 0.943 . . . . 0.0 111.45 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.23 -54.4 34.01 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.312 -0.868 . . . . 0.0 112.812 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -62.73 -17.22 60.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.086 1.354 . . . . 0.0 113.24 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -111.35 19.68 18.03 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.36 -106.56 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.392 1.477 . . . . 0.0 107.64 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -59.05 -34.58 72.09 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.087 1.355 . . . . 0.0 112.374 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.18 28.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.453 1.101 . . . . 0.0 113.652 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -134.8 6.36 3.43 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.776 2.03 . . . . 0.0 113.957 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -175.3 69.67 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.874 2.47 . . . . 0.0 110.009 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -76.44 115.2 15.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 110.841 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 75.29 -48.11 0.62 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.185 1.794 . . . . 0.0 112.431 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -57.39 1.49 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 126.46 1.904 . . . . 0.0 112.761 168.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -50.86 -45.25 59.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.929 1.24 . . . . 0.0 113.779 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.97 -38.97 87.84 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 111.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tp -72.45 -34.16 67.56 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.64 0.776 . . . . 0.0 111.811 170.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -63.19 -42.01 99.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 119.936 -1.727 . . . . 0.0 111.303 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -70.1 -10.47 58.86 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 169.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -47.99 6.56 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.281 1.832 . . . . 0.0 111.301 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -32.6 66.45 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.989 0.915 . . . . 0.0 110.916 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -54.12 -39.75 66.72 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.16 0.984 . . . . 0.0 112.588 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.29 -46.55 49.05 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 123.825 0.85 . . . . 0.0 110.152 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.38 -32.77 73.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.572 -1.33 . . . . 0.0 113.57 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -56.6 -15.57 4.63 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.624 1.97 . . . . 0.0 113.494 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 8.0 2.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.29 -21.73 5.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 C-N-CA 126.138 1.775 . . . . 0.0 112.344 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -109.33 -31.99 7.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.052 -1.03 . . . . 0.0 113.429 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -56.76 -20.54 22.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.659 1.584 . . . . 0.0 114.333 170.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.76 14.15 32.65 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.95 44.49 13.42 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.569 1.548 . . . . 0.0 111.819 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 41' ' ' NH2 0.274 1.9 t80 -120.88 -138.1 0.33 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.919 1.687 . . . . 0.0 107.814 176.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . 0.422 ' N ' ' CD1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.32 -0.711 0 O-C-N 117.333 -3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp 74.27 67.31 0.09 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.295 1.838 . . . . 0.0 113.643 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.92 -34.38 62.12 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.994 -1.066 . . . . 0.0 112.714 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 13.3 4.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -115.94 -49.98 2.69 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.058 1.743 . . . . 0.0 111.186 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.1 -23.21 45.35 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.556 0.616 . . . . 0.0 112.512 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -43.56 98.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 172.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -9.97 59.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.604 0.762 . . . . 0.0 112.756 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -46.98 8.41 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.966 1.306 . . . . 0.0 111.416 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.51 -34.26 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.865 0.466 . . . . 0.0 111.774 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -44.27 26.14 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.365 1.466 . . . . 0.0 113.733 170.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.62 -45.71 20.94 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.39 0.541 . . . . 0.0 111.051 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 tp -52.64 -27.63 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.507 0.723 . . . . 0.0 111.876 174.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -8.8 2.49 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.89 -0.12 4.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.0 t -102.07 -23.58 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.374 1.869 . . . . 0.0 112.8 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -17.02 11.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.041 1.336 . . . . 0.0 110.939 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -13.48 25.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.958 1.703 . . . . 0.0 114.288 170.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.39 8.22 3.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.563 2.345 . . . . 0.0 112.945 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -156.1 64.23 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.586 0.708 . . . . 0.0 112.399 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.93 97.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.593 1.187 . . . . 0.0 111.951 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 O-C-N 119.449 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 74.06 10.57 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 110.567 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -43.54 96.55 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.067 -1.021 . . . . 0.0 112.195 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.25 -32.01 46.33 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.477 -0.764 . . . . 0.0 112.628 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.0 -44.47 91.67 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.698 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.53 -40.13 68.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.116 0.871 . . . . 0.0 111.598 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' HG2' HH21 ' A' ' 11' ' ' ARG . 9.4 tttt -63.22 -42.59 99.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.137 0.575 . . . . 0.0 111.923 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -70.84 -12.59 61.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.69 1.196 . . . . 0.0 113.109 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.9 -50.23 6.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.279 1.832 . . . . 0.0 110.93 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -35.07 68.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.952 0.501 . . . . 0.0 110.699 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 HH21 ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.4 -37.28 67.41 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.257 1.023 . . . . 0.0 113.731 171.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -44.93 79.51 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.53 -29.59 66.11 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.868 -1.145 . . . . 0.0 112.329 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -59.93 -12.68 8.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.771 2.028 . . . . 0.0 113.201 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.66 8.9 1.97 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.15 -24.85 4.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 125.154 1.381 . . . . 0.0 110.914 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -64.44 -41.05 96.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.186 0.903 . . . . 0.0 112.601 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -58.79 -10.65 2.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -138.22 9.12 2.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.411 1.885 . . . . 0.0 113.534 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -174.75 68.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.66 1.584 . . . . 0.0 111.088 -170.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -142.23 -97.15 0.13 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.352 1.061 . . . . 0.0 110.426 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 69.32 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.233 1.013 . . . . 0.0 111.024 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.96 -33.75 76.04 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.135 -0.978 . . . . 0.0 111.867 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -53.61 -36.6 62.16 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.902 -0.499 . . . . 0.0 112.322 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -42.04 85.49 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.244 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.45 -38.93 72.31 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.636 0.774 . . . . 0.0 111.749 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -44.68 95.11 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.004 0.522 . . . . 0.0 111.034 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -69.74 -7.36 38.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 171.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -95.0 -48.32 6.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.195 1.798 . . . . 0.0 111.073 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.05 -33.69 62.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.843 0.857 . . . . 0.0 111.184 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -49.65 75.19 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.989 0.916 . . . . 0.0 112.709 172.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -36.68 63.25 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.25 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.72 -25.63 28.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 113.063 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -12.87 3.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.95 1.3 . . . . 0.0 113.77 168.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.6 6.78 2.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.35 -20.1 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.704 1.602 . . . . 0.0 111.744 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.65 -17.18 12.66 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.984 -1.073 . . . . 0.0 111.8 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.86 -15.2 40.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.422 1.889 . . . . 0.0 114.389 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -131.27 20.57 4.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.969 2.508 . . . . 0.0 112.301 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.64 23.62 12.84 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.463 1.105 . . . . 0.0 113.326 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.59 -39.77 0.2 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.737 2.415 . . . . 0.0 113.215 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 119.026 -2.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.39 75.57 4.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.799 1.64 . . . . 0.0 109.802 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -33.72 76.35 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.676 0.79 . . . . 0.0 113.088 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.47 146.74 12.05 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 82.34 -36.54 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.054 1.742 . . . . 0.0 111.177 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.96 -29.82 55.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.343 -0.848 . . . . 0.0 111.629 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.464 -0.773 . . . . 0.0 112.429 175.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -11.55 61.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.6 -55.3 3.7 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.063 1.745 . . . . 0.0 109.496 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.58 -28.74 48.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.891 0.876 . . . . 0.0 112.085 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.07 -37.43 53.79 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -36.05 26.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.053 0.941 . . . . 0.0 111.602 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.58 -31.03 61.87 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.123 1.329 . . . . 0.0 112.763 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -54.2 -15.15 1.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 169.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.86 9.72 2.39 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.4 t -97.87 -23.59 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.359 1.464 . . . . 0.0 112.367 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.57 -18.83 13.63 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.776 1.231 . . . . 0.0 111.718 -177.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -63.4 -15.56 57.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 113.112 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.06 8.33 4.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.61 1.964 . . . . 0.0 113.739 178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -163.35 74.14 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.742 1.617 . . . . 0.0 110.864 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -101.27 -57.42 2.09 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.596 0.758 . . . . 0.0 111.594 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 119.769 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.3 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.14 39.68 3.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.106 0.962 . . . . 0.0 112.068 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -45.4 92.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.625 1.17 . . . . 0.0 112.71 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.53 -56.59 19.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.461 0.705 . . . . 0.0 111.578 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.91 -43.01 99.16 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.581 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 mt -50.77 -43.9 58.53 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.205 0.911 . . . . 0.0 111.984 172.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -38.4 90.13 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -14.21 61.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -51.84 5.4 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 127.019 2.128 . . . . 0.0 110.813 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.35 64.07 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.035 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -49.0 -44.33 41.09 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.875 1.27 . . . . 0.0 114.059 172.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.42 91.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.266 0.555 . . . . 0.0 110.963 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.64 11.95 37.84 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.456 1.503 . . . . 0.0 111.688 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -79.36 -11.83 59.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.122 1.769 . . . . 0.0 111.773 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.22 42.64 2.79 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.39 -107.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.802 1.241 . . . . 0.0 110.581 175.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -56.87 -34.88 68.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.12 1.768 . . . . 0.0 112.539 -178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -61.44 -13.22 18.71 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.014 1.726 . . . . 0.0 114.865 171.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -129.48 15.21 6.04 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.544 1.938 . . . . 0.0 113.49 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 65.54 24.23 11.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.59 -81.15 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.835 2.054 . . . . 0.0 113.007 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 O-C-N 119.26 -2.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.8 22.5 6.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.822 1.249 . . . . 0.0 112.094 176.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.22 -31.67 70.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.563 1.545 . . . . 0.0 113.334 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -60.35 -35.32 75.39 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.312 -0.868 . . . . 0.0 112.462 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.86 -45.54 93.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.349 0.66 . . . . 0.0 110.897 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -39.31 66.14 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.404 1.082 . . . . 0.0 112.184 172.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -38.29 88.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.507 0.723 . . . . 0.0 112.307 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -73.87 -14.12 61.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.967 0.907 . . . . 0.0 113.264 172.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.21 -50.62 6.48 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.728 2.011 . . . . 0.0 110.938 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -27.27 62.72 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.972 0.509 . . . . 0.0 111.843 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -54.51 -27.72 40.05 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.944 1.298 . . . . 0.0 114.288 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -42.82 21.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.325 1.05 . . . . 0.0 110.615 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.3 -28.41 65.17 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.4 -0.812 . . . . 0.0 112.361 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -52.67 -17.84 1.5 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.149 2.179 . . . . 0.0 113.393 174.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.71 5.51 1.99 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.22 -21.48 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.962 1.705 . . . . 0.0 112.579 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -22.48 11.84 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.461 1.104 . . . . 0.0 111.683 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -8.75 3.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.976 2.111 . . . . 0.0 114.426 172.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -138.01 6.08 2.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.774 2.029 . . . . 0.0 112.768 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.2 76.58 0.62 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.056 0.943 . . . . 0.0 111.481 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -54.19 163.74 0.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 113.908 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 117.764 -1.112 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 57.81 63.21 1.86 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.806 1.642 . . . . 0.0 111.791 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.47 -27.38 62.44 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.22 -53.25 60.43 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.922 0.889 . . . . 0.0 112.548 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.44 -44.92 92.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.231 0.613 . . . . 0.0 109.949 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.77 -46.6 81.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.61 0.764 . . . . 0.0 111.592 174.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -40.88 85.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.277 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -71.35 -8.15 51.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 173.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -53.01 3.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.928 2.091 . . . . 0.0 110.696 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.75 -31.67 70.99 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.088 0.555 . . . . 0.0 111.176 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -51.44 -36.18 42.82 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 112.44 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -52.11 10.54 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.65 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.37 -26.05 7.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.004 1.321 . . . . 0.0 114.097 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -52.91 -16.84 1.14 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.053 1.741 . . . . 0.0 115.068 165.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.94 -28.98 7.52 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.76 -5.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.662 2.385 . . . . 0.0 111.655 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.91 -21.34 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.87 2.068 . . . . 0.0 113.93 167.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 82.0 37.71 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.05 1.74 . . . . 0.0 110.516 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.04 14.44 4.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.074 1.349 . . . . 0.0 113.38 -170.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.45 23.28 1.64 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.484 1.514 . . . . 0.0 114.054 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -78.01 -159.89 0.18 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.82 2.048 . . . . 0.0 112.548 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.561 0 O-C-N 117.644 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 52.29 41.45 30.46 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.293 1.437 . . . . 0.0 113.493 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -34.52 76.38 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.017 -1.052 . . . . 0.0 112.979 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -55.4 -45.98 76.64 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.432 0.693 . . . . 0.0 111.579 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.31 -43.72 90.16 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 123.616 0.766 . . . . 0.0 111.512 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.35 -39.59 60.91 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.281 0.632 . . . . 0.0 111.419 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -37.61 88.11 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.06 -6.53 51.51 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.385 1.474 . . . . 0.0 113.323 171.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.49 -50.06 5.15 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 126.366 1.866 . . . . 0.0 110.75 176.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.18 -28.66 63.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.149 0.58 . . . . 0.0 112.069 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -50.71 -37.98 44.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.14 1.376 . . . . 0.0 113.756 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -39.67 14.36 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 123.34 0.656 . . . . 0.0 110.769 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -56.07 -29.58 60.75 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.15 1.341 . . . . 0.0 113.115 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -57.64 -13.39 3.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 114.653 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.6 29.98 5.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.24 -111.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.258 1.423 . . . . 0.0 108.279 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -55.62 -34.16 64.63 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.616 1.967 . . . . 0.0 112.84 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.92 -13.95 40.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.181 1.393 . . . . 0.0 114.443 172.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.75 20.59 4.63 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.149 2.58 . . . . 0.0 112.08 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.03 24.89 11.64 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.225 1.01 . . . . 0.0 113.227 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 p90 49.79 9.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.046 2.938 . . . . 0.0 115.837 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 119.109 -2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.35 71.2 0.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.138 1.375 . . . . 0.0 110.996 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.29 -50.01 3.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.844 2.058 . . . . 0.0 110.735 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -35.11 64.14 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.1 -1.0 . . . . 0.0 112.527 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.51 -33.62 32.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.45 0.7 . . . . 0.0 112.138 174.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.52 -38.01 68.19 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 110.742 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -40.45 95.83 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.591 -0.693 . . . . 0.0 111.364 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -7.76 50.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 171.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.88 -54.9 3.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.156 1.782 . . . . 0.0 110.452 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -54.77 -28.51 49.31 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.42 0.688 . . . . 0.0 110.669 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -54.2 -45.5 72.2 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.69 -40.26 69.66 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.27 0.486 . . . . 0.0 110.442 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -23.2 65.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.842 0.857 . . . . 0.0 112.964 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -60.61 -8.84 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.109 2.164 . . . . 0.0 113.105 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.47 28.21 8.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.3 t -139.82 -109.82 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.835 1.654 . . . . 0.0 108.834 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.86 -20.26 64.27 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.428 1.491 . . . . 0.0 112.307 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -20.88 57.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.73 1.212 . . . . 0.0 113.132 172.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -124.89 17.6 8.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.844 1.257 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 62.41 25.4 15.15 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 56.87 -98.04 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 112.558 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.15 -2.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 117.407 -1.282 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -26.73 5.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.604 1.562 . . . . 0.0 112.67 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.72 -55.87 19.59 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.329 1.451 . . . . 0.0 111.686 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -54.92 133.6 48.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.746 1.157 . . . . 0.0 109.847 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 88.33 -46.34 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.621 2.368 . . . . 0.0 110.407 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.03 -33.52 57.41 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.23 1.412 . . . . 0.0 112.045 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -35.49 81.25 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 119.812 -1.805 . . . . 0.0 111.727 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -75.21 -7.05 52.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.8 1.64 . . . . 0.0 113.624 169.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -52.22 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.022 1.729 . . . . 0.0 110.683 176.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -57.23 -31.7 65.78 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.731 0.813 . . . . 0.0 111.081 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -53.3 -45.79 69.1 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.24 -42.97 44.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.761 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.71 -35.33 72.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.206 0.912 . . . . 0.0 112.913 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.8 -13.33 9.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.5 1.92 . . . . 0.0 113.617 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.15 14.57 3.04 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 40' ' ' TYR . 17.4 t -98.56 -20.47 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.784 1.634 . . . . 0.0 112.311 176.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 p -103.93 -33.87 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.674 -1.266 . . . . 0.0 112.951 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -59.15 -19.46 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.575 1.55 . . . . 0.0 114.812 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -103.64 2.57 33.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.018 1.327 . . . . 0.0 114.215 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 47.23 59.65 3.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.067 -173.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' CE2' HG23 ' A' ' 35' ' ' VAL . 3.2 m-85 -53.67 -15.24 1.12 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.131 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.471 0.177 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.91 52.83 0.88 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.243 -1.536 . . . . 0.0 111.592 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -58.52 2.58 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 126.501 1.92 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -51.55 -48.78 62.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.333 0.969 . . . . 0.0 111.88 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.68 -51.44 68.77 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 111.942 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.71 -47.51 76.73 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.907 1.283 . . . . 0.0 111.631 173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -61.05 -40.71 94.67 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.553 1.141 . . . . 0.0 111.543 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -10.96 60.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.215 1.406 . . . . 0.0 114.397 169.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.49 -56.24 3.27 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 126.17 1.788 . . . . 0.0 110.218 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.95 -34.85 63.65 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.839 0.855 . . . . 0.0 110.533 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -43.72 97.73 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.07 -45.01 17.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.185 0.594 . . . . 0.0 110.576 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -40.1 65.79 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.969 -1.082 . . . . 0.0 111.684 171.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -54.95 -13.28 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.966 1.306 . . . . 0.0 114.243 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -127.2 6.46 6.45 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.56 -3.61 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.7 2.0 . . . . 0.0 111.3 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.61 -34.3 0.35 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.321 2.248 . . . . 0.0 113.505 167.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -46.39 -24.97 0.57 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.204 2.201 . . . . 0.0 114.642 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.1 8.39 2.72 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.75 2.02 . . . . 0.0 113.279 174.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -142.44 63.22 1.4 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.718 0.69 . . . . 0.0 111.373 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 62.93 -61.06 0.13 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.178 1.791 . . . . 0.0 112.938 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.891 0 O-C-N 120.697 -1.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.33 58.05 1.83 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.757 1.223 . . . . 0.0 110.047 175.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.98 -64.88 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.967 0.907 . . . . 0.0 110.377 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -76.57 -40.68 48.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.22 -33.08 26.34 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.426 0.691 . . . . 0.0 111.421 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.18 -40.99 95.02 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.695 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -63.63 -39.06 93.4 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.485 0.314 . . . . 0.0 111.136 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -4.62 37.44 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.41 -51.52 3.94 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 127.015 2.126 . . . . 0.0 110.326 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.92 -27.96 54.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.134 0.574 . . . . 0.0 111.604 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -46.58 74.63 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.428 0.691 . . . . 0.0 112.643 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -24.17 67.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.029 0.932 . . . . 0.0 112.716 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -54.14 5.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.172 1.389 . . . . 0.0 111.687 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -59.25 -15.93 18.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.031 0.932 . . . . 0.0 113.063 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.38 13.17 3.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -98.65 -19.15 6.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 124.854 1.261 . . . . 0.0 111.783 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -97.0 -33.19 11.64 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.595 -1.316 . . . . 0.0 112.461 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -62.16 -14.74 40.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.393 1.077 . . . . 0.0 113.599 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -120.09 19.41 12.27 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.057 2.143 . . . . 0.0 112.222 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.55 30.2 12.67 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.898 0.879 . . . . 0.0 113.281 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 54.76 26.93 8.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.36 1.464 . . . . 0.0 111.234 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 118.958 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tt 59.19 75.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.033 1.333 . . . . 0.0 111.567 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.33 -67.38 1.0 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.256 1.422 . . . . 0.0 109.39 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -44.24 91.67 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.18 -48.83 70.51 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.118 0.967 . . . . 0.0 110.959 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.26 -47.0 82.52 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.31 1.044 . . . . 0.0 110.585 173.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -39.17 90.14 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -66.39 -26.92 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.625 1.17 . . . . 0.0 112.8 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -52.77 8.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.049 1.74 . . . . 0.0 111.42 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -58.16 -35.5 71.65 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.152 0.581 . . . . 0.0 111.001 176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -55.19 35.33 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 116.927 -1.511 . . . . 0.0 111.252 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.74 -34.53 12.32 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.096 0.959 . . . . 0.0 113.172 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.46 -69.78 0.24 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.429 1.092 . . . . 0.0 111.824 173.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -57.96 -24.81 59.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.043 0.937 . . . . 0.0 112.979 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.65 3.97 2.79 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -98.48 -17.09 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.793 2.037 . . . . 0.0 112.224 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -108.73 -38.95 5.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.201 0.91 . . . . 0.0 112.605 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -58.01 -12.62 3.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -134.78 8.47 3.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.721 1.608 . . . . 0.0 113.56 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -164.5 65.15 0.14 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.779 0.832 . . . . 0.0 112.649 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -155.08 -42.07 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 2.9 tmtt? . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 28' ' ' LEU . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 20' ' ' GLU 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 28' ' ' LEU . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' HD23 ' A' ' 34' ' ' LEU . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.919 0.39 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 5' ' ' GLU . 4.6 mm? -118.77 56.48 0.89 Allowed 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.25 -0.906 . . . . 0.0 110.524 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -43.33 92.67 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.491 1.117 . . . . 0.0 112.166 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -64.23 -52.99 56.07 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.767 -0.583 . . . . 0.0 111.447 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' HB2' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -56.99 -33.43 67.11 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.665 177.345 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -41.35 51.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.171 0.989 . . . . 0.0 112.343 173.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -46.59 83.95 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.021 0.528 . . . . 0.0 110.775 174.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -19.87 65.25 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.675 0.79 . . . . 0.0 112.766 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 -56.45 3.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.399 1.88 . . . . 0.0 111.067 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.63 -36.51 67.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.62 0.645 . . . . 0.0 110.418 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.243 1.017 . . . . 0.0 113.691 173.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -48.07 11.04 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.623 0.647 . . . . 0.0 111.342 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.41 -40.81 65.39 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.884 0.874 . . . . 0.0 111.577 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -18.52 1.04 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.146 1.378 . . . . 0.0 113.945 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.95 3.44 2.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.0 -20.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 126.534 1.933 . . . . 0.0 112.022 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -25.42 11.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.024 0.93 . . . . 0.0 111.677 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -13.53 2.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.351 1.86 . . . . 0.0 114.582 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -136.07 9.18 3.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.482 2.313 . . . . 0.0 113.362 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 63.56 0.46 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.755 1.622 . . . . 0.0 110.652 -175.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.11 -33.16 59.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.656 0.782 . . . . 0.0 112.794 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 118.958 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 68.87 0.78 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.37 1.068 . . . . 0.0 110.039 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -38.41 67.0 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.037 -1.039 . . . . 0.0 110.781 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.33 25.26 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.99 72.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.18 0.992 . . . . 0.0 111.002 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 123.812 0.845 . . . . 0.0 111.194 172.126 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.03 -34.93 77.41 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.362 -0.836 . . . . 0.0 110.9 -177.047 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.04 -7.81 56.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.067 0.947 . . . . 0.0 113.298 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -94.99 -52.95 4.01 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.516 1.927 . . . . 0.0 110.912 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.73 -30.99 62.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.073 0.949 . . . . 0.0 111.322 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -43.85 78.64 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -35.29 61.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.41 4.76 12.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.151 1.38 . . . . 0.0 112.772 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -52.0 -18.16 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.634 1.574 . . . . 0.0 113.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.41 12.69 2.15 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 ' CG ' ' A' ' 31' ' ' TYR . 6.2 t -92.06 -28.7 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.472 1.109 . . . . 0.0 112.383 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -81.89 -40.66 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -59.94 -10.69 4.34 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.15 7.96 3.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.492 1.917 . . . . 0.0 113.347 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -167.76 71.29 0.1 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.088 1.355 . . . . 0.0 111.665 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -158.94 -174.22 4.64 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.285 -0.884 . . . . 0.0 111.761 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.687 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.2 -62.66 0.45 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.868 1.667 . . . . 0.0 112.097 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.01 -39.38 19.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.33 1.852 . . . . 0.0 112.222 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -73.0 -52.23 15.22 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 125.378 1.471 . . . . 0.0 110.894 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.88 -46.95 71.5 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.147 0.979 . . . . 0.0 110.456 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -53.6 -36.49 62.01 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.896 0.771 . . . . 0.0 112.95 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -43.2 74.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.123 0.969 . . . . 0.0 112.037 174.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -67.22 -17.96 65.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.167 0.987 . . . . 0.0 113.172 171.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.12 -52.03 6.23 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 125.981 1.713 . . . . 0.0 110.749 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -27.56 53.75 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.217 -0.42 . . . . 0.0 111.424 177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -50.87 65.74 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.205 1.002 . . . . 0.0 113.592 169.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -32.84 73.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.881 0.873 . . . . 0.0 111.372 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 16' ' ' LEU . 72.9 mt -70.22 -53.69 15.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.239 0.615 . . . . 0.0 112.034 174.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -15.03 44.57 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.279 -1.513 . . . . 0.0 113.187 172.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 14.87 4.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -104.03 -15.26 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.821 1.649 . . . . 0.0 112.225 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -107.66 -36.11 6.52 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.727 -1.233 . . . . 0.0 112.554 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -16.87 17.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.321 1.448 . . . . 0.0 114.457 173.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.62 14.24 11.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.98 2.112 . . . . 0.0 112.512 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 62.07 25.57 15.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.184 1.393 . . . . 0.0 114.098 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.6 -52.27 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.191 2.596 . . . . 0.0 113.999 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.42 -2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.5 p90 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.65 66.3 9.41 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.511 -1.368 . . . . 0.0 111.943 -175.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -48.75 77.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.3 1.04 . . . . 0.0 112.484 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -43.63 82.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.977 0.511 . . . . 0.0 111.521 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.91 -39.28 93.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.759 0.423 . . . . 0.0 111.188 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -30.74 24.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.349 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -39.65 94.08 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 173.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -11.98 60.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 171.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.73 -54.63 4.15 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.878 1.271 . . . . 0.0 110.023 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.67 -30.32 55.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.442 1.097 . . . . 0.0 111.904 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -64.03 0.94 Allowed 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 124.2 1.0 . . . . 0.0 112.746 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -20.92 66.62 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.471 0.578 . . . . 0.0 112.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 13' ' ' LEU . 2.4 tp -58.03 -36.39 72.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.348 -1.47 . . . . 0.0 111.506 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' O ' ' HE2' ' A' ' 14' ' ' LYS . 2.9 tmtt? -54.67 -17.48 3.43 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.457 1.026 . . . . 0.0 112.922 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt -107.86 17.49 22.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 60.2 t -120.82 -112.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.189 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -32.94 71.32 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.826 1.65 . . . . 0.0 111.644 -177.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -7.86 31.58 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.165 0.986 . . . . 0.0 113.334 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 13.71 7.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.762 2.025 . . . . 0.0 112.927 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 54.48 57.18 6.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.871 1.268 . . . . 0.0 112.672 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 2.1 t80 -39.41 92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.877 2.071 . . . . 0.0 115.272 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.397 -2.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.9 p90 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -61.09 0.06 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.12 0.968 . . . . 0.0 110.832 172.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -70.71 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.785 2.034 . . . . 0.0 114.035 176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -42.28 66.75 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.422 -0.799 . . . . 0.0 113.017 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.2 -51.52 69.39 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.347 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 mt -51.19 -38.56 53.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.52 1.055 . . . . 0.0 111.833 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -47.92 75.29 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.195 0.598 . . . . 0.0 111.847 173.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -63.95 -17.77 63.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.139 1.375 . . . . 0.0 114.328 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -53.93 4.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.387 1.875 . . . . 0.0 110.341 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 13' ' ' LEU . 1.8 tt0 -61.87 -41.89 98.41 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.951 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.12 -21.45 61.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.29 -73.31 0.31 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.485 1.039 . . . . 0.0 109.398 170.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.92 -23.01 41.93 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -173.116 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' N ' HD13 ' A' ' 13' ' ' LEU . 10.3 tmtt? -48.49 -21.11 0.5 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.532 1.933 . . . . 0.0 113.078 168.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.784 ' CE2' HG11 ' A' ' 35' ' ' VAL . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -111.59 -36.42 5.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 31' ' ' TYR . 12.2 t -70.9 2.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.57 1.948 . . . . 0.0 112.091 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.75 -16.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.494 1.918 . . . . 0.0 113.781 154.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 31.16 5.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.288 1.035 . . . . 0.0 110.557 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 57.53 13.01 1.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.608 -170.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -163.36 70.38 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.117 0.871 . . . . 0.0 113.147 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 56.9 -39.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 127.302 2.241 . . . . 0.0 116.345 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.83 0 O-C-N 118.012 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 117.715 -1.136 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp 47.99 43.16 17.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.658 1.983 . . . . 0.0 114.412 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -51.97 60.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.413 1.085 . . . . 0.0 112.814 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.02 -50.75 63.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.777 0.831 . . . . 0.0 111.22 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -47.46 86.17 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.165 0.986 . . . . 0.0 111.065 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.61 -43.75 62.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.024 0.93 . . . . 0.0 112.027 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -61.87 -46.17 90.58 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.317 0.647 . . . . 0.0 111.59 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.42 -12.7 54.84 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -51.41 5.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.748 2.019 . . . . 0.0 111.355 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.06 -39.29 69.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.184 0.594 . . . . 0.0 109.889 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -47.52 82.47 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.145 -0.931 . . . . 0.0 112.303 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -40.08 89.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.058 0.943 . . . . 0.0 111.45 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.23 -54.4 34.01 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.312 -0.868 . . . . 0.0 112.812 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -62.73 -17.22 60.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.086 1.354 . . . . 0.0 113.24 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -111.35 19.68 18.03 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 31' ' ' TYR . 91.3 t -118.36 -106.56 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.392 1.477 . . . . 0.0 107.64 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.425 ' N ' HG12 ' A' ' 35' ' ' VAL . 3.2 p -59.05 -34.58 72.09 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.087 1.355 . . . . 0.0 112.374 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.18 28.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.453 1.101 . . . . 0.0 113.652 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -134.8 6.36 3.43 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.776 2.03 . . . . 0.0 113.957 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -175.3 69.67 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.874 2.47 . . . . 0.0 110.009 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -76.44 115.2 15.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 110.841 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 75.29 -48.11 0.62 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.185 1.794 . . . . 0.0 112.431 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -57.39 1.49 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 126.46 1.904 . . . . 0.0 112.761 168.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -50.86 -45.25 59.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.929 1.24 . . . . 0.0 113.779 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.97 -38.97 87.84 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 111.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 6' ' ' LEU . 6.9 tp -72.45 -34.16 67.56 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.64 0.776 . . . . 0.0 111.811 170.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -63.19 -42.01 99.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 119.936 -1.727 . . . . 0.0 111.303 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -70.1 -10.47 58.86 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 169.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -47.99 6.56 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.281 1.832 . . . . 0.0 111.301 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -32.6 66.45 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.989 0.915 . . . . 0.0 110.916 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -54.12 -39.75 66.72 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.16 0.984 . . . . 0.0 112.588 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.29 -46.55 49.05 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 123.825 0.85 . . . . 0.0 110.152 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.38 -32.77 73.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.572 -1.33 . . . . 0.0 113.57 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -56.6 -15.57 4.63 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.624 1.97 . . . . 0.0 113.494 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 28' ' ' LEU . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 8.0 2.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 31' ' ' TYR . 4.3 t -99.29 -21.73 5.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 C-N-CA 126.138 1.775 . . . . 0.0 112.344 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -109.33 -31.99 7.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.052 -1.03 . . . . 0.0 113.429 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -56.76 -20.54 22.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.659 1.584 . . . . 0.0 114.333 170.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.76 14.15 32.65 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.95 44.49 13.42 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.569 1.548 . . . . 0.0 111.819 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 41' ' ' NH2 0.274 1.9 t80 -120.88 -138.1 0.33 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.919 1.687 . . . . 0.0 107.814 176.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . 0.422 ' N ' ' CD1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.32 -0.711 0 O-C-N 117.333 -3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp 74.27 67.31 0.09 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.295 1.838 . . . . 0.0 113.643 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.92 -34.38 62.12 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.994 -1.066 . . . . 0.0 112.714 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 13.3 4.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -115.94 -49.98 2.69 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.058 1.743 . . . . 0.0 111.186 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.1 -23.21 45.35 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.556 0.616 . . . . 0.0 112.512 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -43.56 98.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 172.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -9.97 59.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.604 0.762 . . . . 0.0 112.756 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -46.98 8.41 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.966 1.306 . . . . 0.0 111.416 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.51 -34.26 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.865 0.466 . . . . 0.0 111.774 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -44.27 26.14 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.365 1.466 . . . . 0.0 113.733 170.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.62 -45.71 20.94 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.39 0.541 . . . . 0.0 111.051 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 21' ' ' LEU . 2.2 tp -52.64 -27.63 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.507 0.723 . . . . 0.0 111.876 174.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -8.8 2.49 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CZ ' HG21 ' A' ' 35' ' ' VAL . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.89 -0.12 4.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 3.0 t -102.07 -23.58 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.374 1.869 . . . . 0.0 112.8 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -17.02 11.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.041 1.336 . . . . 0.0 110.939 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -13.48 25.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.958 1.703 . . . . 0.0 114.288 170.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.39 8.22 3.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.563 2.345 . . . . 0.0 112.945 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -156.1 64.23 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.586 0.708 . . . . 0.0 112.399 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.93 97.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.593 1.187 . . . . 0.0 111.951 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 O-C-N 119.449 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 74.06 10.57 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 110.567 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -43.54 96.55 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.067 -1.021 . . . . 0.0 112.195 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.25 -32.01 46.33 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.477 -0.764 . . . . 0.0 112.628 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.0 -44.47 91.67 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.698 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.53 -40.13 68.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.116 0.871 . . . . 0.0 111.598 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HG2' HH21 ' A' ' 11' ' ' ARG . 9.4 tttt -63.22 -42.59 99.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.137 0.575 . . . . 0.0 111.923 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -70.84 -12.59 61.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.69 1.196 . . . . 0.0 113.109 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.9 -50.23 6.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.279 1.832 . . . . 0.0 110.93 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -35.07 68.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.952 0.501 . . . . 0.0 110.699 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.528 HH21 ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.4 -37.28 67.41 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.257 1.023 . . . . 0.0 113.731 171.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -44.93 79.51 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.53 -29.59 66.11 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.868 -1.145 . . . . 0.0 112.329 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -59.93 -12.68 8.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.771 2.028 . . . . 0.0 113.201 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 20' ' ' GLU 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.66 8.9 1.97 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.15 -24.85 4.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 125.154 1.381 . . . . 0.0 110.914 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -64.44 -41.05 96.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.186 0.903 . . . . 0.0 112.601 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -58.79 -10.65 2.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -138.22 9.12 2.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.411 1.885 . . . . 0.0 113.534 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -174.75 68.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.66 1.584 . . . . 0.0 111.088 -170.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -142.23 -97.15 0.13 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.352 1.061 . . . . 0.0 110.426 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 69.32 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.233 1.013 . . . . 0.0 111.024 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.96 -33.75 76.04 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.135 -0.978 . . . . 0.0 111.867 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -53.61 -36.6 62.16 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.902 -0.499 . . . . 0.0 112.322 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -42.04 85.49 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.244 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.45 -38.93 72.31 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.636 0.774 . . . . 0.0 111.749 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -44.68 95.11 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.004 0.522 . . . . 0.0 111.034 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -69.74 -7.36 38.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 171.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -95.0 -48.32 6.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.195 1.798 . . . . 0.0 111.073 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.05 -33.69 62.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.843 0.857 . . . . 0.0 111.184 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -49.65 75.19 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.989 0.916 . . . . 0.0 112.709 172.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -36.68 63.25 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.25 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.72 -25.63 28.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 113.063 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -12.87 3.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.95 1.3 . . . . 0.0 113.77 168.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 28' ' ' LEU . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.6 6.78 2.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.35 -20.1 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.704 1.602 . . . . 0.0 111.744 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.65 -17.18 12.66 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.984 -1.073 . . . . 0.0 111.8 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.86 -15.2 40.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.422 1.889 . . . . 0.0 114.389 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -131.27 20.57 4.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.969 2.508 . . . . 0.0 112.301 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.64 23.62 12.84 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.463 1.105 . . . . 0.0 113.326 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.59 -39.77 0.2 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.737 2.415 . . . . 0.0 113.215 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 119.026 -2.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.39 75.57 4.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.799 1.64 . . . . 0.0 109.802 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -33.72 76.35 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.676 0.79 . . . . 0.0 113.088 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.47 146.74 12.05 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 82.34 -36.54 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.054 1.742 . . . . 0.0 111.177 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.96 -29.82 55.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.343 -0.848 . . . . 0.0 111.629 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.464 -0.773 . . . . 0.0 112.429 175.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -11.55 61.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.6 -55.3 3.7 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.063 1.745 . . . . 0.0 109.496 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.58 -28.74 48.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.891 0.876 . . . . 0.0 112.085 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.07 -37.43 53.79 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -36.05 26.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.053 0.941 . . . . 0.0 111.602 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.58 -31.03 61.87 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.123 1.329 . . . . 0.0 112.763 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -54.2 -15.15 1.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 169.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' CG ' HG21 ' A' ' 35' ' ' VAL . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.86 9.72 2.39 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG21 ' CG ' ' A' ' 31' ' ' TYR . 4.4 t -97.87 -23.59 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.359 1.464 . . . . 0.0 112.367 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.57 -18.83 13.63 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.776 1.231 . . . . 0.0 111.718 -177.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -63.4 -15.56 57.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 113.112 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.06 8.33 4.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.61 1.964 . . . . 0.0 113.739 178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -163.35 74.14 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.742 1.617 . . . . 0.0 110.864 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -101.27 -57.42 2.09 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.596 0.758 . . . . 0.0 111.594 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 119.769 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.462 ' O ' HD22 ' A' ' 2' ' ' LEU . 23.3 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 1' ' ' TYR . 3.3 mm? -124.14 39.68 3.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.106 0.962 . . . . 0.0 112.068 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -45.4 92.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.625 1.17 . . . . 0.0 112.71 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.53 -56.59 19.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.461 0.705 . . . . 0.0 111.578 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.91 -43.01 99.16 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.581 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 mt -50.77 -43.9 58.53 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.205 0.911 . . . . 0.0 111.984 172.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -38.4 90.13 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -14.21 61.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -51.84 5.4 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 127.019 2.128 . . . . 0.0 110.813 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.35 64.07 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.035 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -49.0 -44.33 41.09 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.875 1.27 . . . . 0.0 114.059 172.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.42 91.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.266 0.555 . . . . 0.0 110.963 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' HD11 ' A' ' 21' ' ' LEU . 5.3 mt -99.64 11.95 37.84 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.456 1.503 . . . . 0.0 111.688 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -79.36 -11.83 59.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.122 1.769 . . . . 0.0 111.773 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.22 42.64 2.79 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 36' ' ' THR . 61.0 t -131.39 -107.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.802 1.241 . . . . 0.0 110.581 175.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.2 p -56.87 -34.88 68.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.12 1.768 . . . . 0.0 112.539 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -61.44 -13.22 18.71 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.014 1.726 . . . . 0.0 114.865 171.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -129.48 15.21 6.04 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.544 1.938 . . . . 0.0 113.49 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 65.54 24.23 11.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.59 -81.15 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.835 2.054 . . . . 0.0 113.007 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 O-C-N 119.26 -2.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.8 22.5 6.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.822 1.249 . . . . 0.0 112.094 176.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.22 -31.67 70.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.563 1.545 . . . . 0.0 113.334 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -60.35 -35.32 75.39 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.312 -0.868 . . . . 0.0 112.462 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.86 -45.54 93.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.349 0.66 . . . . 0.0 110.897 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -39.31 66.14 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.404 1.082 . . . . 0.0 112.184 172.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -38.29 88.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.507 0.723 . . . . 0.0 112.307 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -73.87 -14.12 61.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.967 0.907 . . . . 0.0 113.264 172.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.21 -50.62 6.48 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.728 2.011 . . . . 0.0 110.938 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -27.27 62.72 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.972 0.509 . . . . 0.0 111.843 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -54.51 -27.72 40.05 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.944 1.298 . . . . 0.0 114.288 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -42.82 21.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.325 1.05 . . . . 0.0 110.615 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.3 -28.41 65.17 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.4 -0.812 . . . . 0.0 112.361 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -52.67 -17.84 1.5 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.149 2.179 . . . . 0.0 113.393 174.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.532 ' CE1' HG21 ' A' ' 35' ' ' VAL . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.71 5.51 1.99 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 31' ' ' TYR . 22.7 t -100.22 -21.48 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.962 1.705 . . . . 0.0 112.579 175.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -22.48 11.84 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.461 1.104 . . . . 0.0 111.683 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -8.75 3.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.976 2.111 . . . . 0.0 114.426 172.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -138.01 6.08 2.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.774 2.029 . . . . 0.0 112.768 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.2 76.58 0.62 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.056 0.943 . . . . 0.0 111.481 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -54.19 163.74 0.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 113.908 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 117.764 -1.112 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 57.81 63.21 1.86 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.806 1.642 . . . . 0.0 111.791 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.47 -27.38 62.44 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.22 -53.25 60.43 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.922 0.889 . . . . 0.0 112.548 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.44 -44.92 92.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.231 0.613 . . . . 0.0 109.949 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.4 tp -56.77 -46.6 81.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.61 0.764 . . . . 0.0 111.592 174.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -40.88 85.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.277 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -71.35 -8.15 51.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 173.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -53.01 3.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.928 2.091 . . . . 0.0 110.696 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.75 -31.67 70.99 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.088 0.555 . . . . 0.0 111.176 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -51.44 -36.18 42.82 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 112.44 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -52.11 10.54 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.65 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.37 -26.05 7.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.004 1.321 . . . . 0.0 114.097 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -52.91 -16.84 1.14 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.053 1.741 . . . . 0.0 115.068 165.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.94 -28.98 7.52 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.76 -5.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.662 2.385 . . . . 0.0 111.655 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.91 -21.34 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.87 2.068 . . . . 0.0 113.93 167.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 82.0 37.71 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.05 1.74 . . . . 0.0 110.516 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.04 14.44 4.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.074 1.349 . . . . 0.0 113.38 -170.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.45 23.28 1.64 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.484 1.514 . . . . 0.0 114.054 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -78.01 -159.89 0.18 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.82 2.048 . . . . 0.0 112.548 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.561 0 O-C-N 117.644 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 52.29 41.45 30.46 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.293 1.437 . . . . 0.0 113.493 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -34.52 76.38 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.017 -1.052 . . . . 0.0 112.979 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -55.4 -45.98 76.64 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.432 0.693 . . . . 0.0 111.579 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.31 -43.72 90.16 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 123.616 0.766 . . . . 0.0 111.512 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.35 -39.59 60.91 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.281 0.632 . . . . 0.0 111.419 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -37.61 88.11 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.06 -6.53 51.51 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.385 1.474 . . . . 0.0 113.323 171.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.49 -50.06 5.15 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 126.366 1.866 . . . . 0.0 110.75 176.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.18 -28.66 63.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.149 0.58 . . . . 0.0 112.069 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -50.71 -37.98 44.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.14 1.376 . . . . 0.0 113.756 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -39.67 14.36 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 123.34 0.656 . . . . 0.0 110.769 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -56.07 -29.58 60.75 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.15 1.341 . . . . 0.0 113.115 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -57.64 -13.39 3.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 114.653 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.6 29.98 5.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.24 -111.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.258 1.423 . . . . 0.0 108.279 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -55.62 -34.16 64.63 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.616 1.967 . . . . 0.0 112.84 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.92 -13.95 40.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.181 1.393 . . . . 0.0 114.443 172.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.75 20.59 4.63 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.149 2.58 . . . . 0.0 112.08 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.03 24.89 11.64 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.225 1.01 . . . . 0.0 113.227 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 p90 49.79 9.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.046 2.938 . . . . 0.0 115.837 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 119.109 -2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.35 71.2 0.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.138 1.375 . . . . 0.0 110.996 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.29 -50.01 3.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.844 2.058 . . . . 0.0 110.735 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -35.11 64.14 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.1 -1.0 . . . . 0.0 112.527 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.51 -33.62 32.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.45 0.7 . . . . 0.0 112.138 174.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.52 -38.01 68.19 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 110.742 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -40.45 95.83 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.591 -0.693 . . . . 0.0 111.364 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HE2' HH21 ' A' ' 11' ' ' ARG . 0.1 OUTLIER -71.93 -7.76 50.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 171.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.88 -54.9 3.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.156 1.782 . . . . 0.0 110.452 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -54.77 -28.51 49.31 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.42 0.688 . . . . 0.0 110.669 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH21 ' HE2' ' A' ' 8' ' ' LYS . 8.5 ttm180 -54.2 -45.5 72.2 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.69 -40.26 69.66 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.27 0.486 . . . . 0.0 110.442 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD12 HD11 ' A' ' 21' ' ' LEU . 4.6 mm? -67.08 -23.2 65.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.842 0.857 . . . . 0.0 112.964 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -60.61 -8.84 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.109 2.164 . . . . 0.0 113.105 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 13' ' ' LEU . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.47 28.21 8.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 36' ' ' THR . 91.3 t -139.82 -109.82 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.835 1.654 . . . . 0.0 108.834 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -68.86 -20.26 64.27 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.428 1.491 . . . . 0.0 112.307 -175.103 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.23 -20.88 57.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.73 1.212 . . . . 0.0 113.132 172.139 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -124.89 17.6 8.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.844 1.257 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 62.41 25.4 15.15 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 56.87 -98.04 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 112.558 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.15 -2.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 117.407 -1.282 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -26.73 5.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.604 1.562 . . . . 0.0 112.67 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.72 -55.87 19.59 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.329 1.451 . . . . 0.0 111.686 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -54.92 133.6 48.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.746 1.157 . . . . 0.0 109.847 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 88.33 -46.34 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.621 2.368 . . . . 0.0 110.407 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.03 -33.52 57.41 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.23 1.412 . . . . 0.0 112.045 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -35.49 81.25 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 119.812 -1.805 . . . . 0.0 111.727 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -75.21 -7.05 52.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.8 1.64 . . . . 0.0 113.624 169.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -52.22 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.022 1.729 . . . . 0.0 110.683 176.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -57.23 -31.7 65.78 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.731 0.813 . . . . 0.0 111.081 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -53.3 -45.79 69.1 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.24 -42.97 44.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.761 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.71 -35.33 72.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.206 0.912 . . . . 0.0 112.913 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.8 -13.33 9.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.5 1.92 . . . . 0.0 113.617 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.15 14.57 3.04 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 40' ' ' TYR . 17.4 t -98.56 -20.47 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.784 1.634 . . . . 0.0 112.311 176.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 p -103.93 -33.87 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.674 -1.266 . . . . 0.0 112.951 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -59.15 -19.46 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.575 1.55 . . . . 0.0 114.812 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -103.64 2.57 33.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.018 1.327 . . . . 0.0 114.215 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 47.23 59.65 3.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.067 -173.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 35' ' ' VAL . 3.2 m-85 -53.67 -15.24 1.12 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.131 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.471 0.177 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.91 52.83 0.88 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.243 -1.536 . . . . 0.0 111.592 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -58.52 2.58 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 126.501 1.92 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -51.55 -48.78 62.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.333 0.969 . . . . 0.0 111.88 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.68 -51.44 68.77 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 111.942 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.1 tp -55.71 -47.51 76.73 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.907 1.283 . . . . 0.0 111.631 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -61.05 -40.71 94.67 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.553 1.141 . . . . 0.0 111.543 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -10.96 60.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.215 1.406 . . . . 0.0 114.397 169.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.49 -56.24 3.27 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 126.17 1.788 . . . . 0.0 110.218 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.95 -34.85 63.65 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.839 0.855 . . . . 0.0 110.533 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -43.72 97.73 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.07 -45.01 17.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.185 0.594 . . . . 0.0 110.576 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -40.1 65.79 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.969 -1.082 . . . . 0.0 111.684 171.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -54.95 -13.28 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.966 1.306 . . . . 0.0 114.243 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CE2' HG11 ' A' ' 35' ' ' VAL . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -127.2 6.46 6.45 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 31' ' ' TYR . 41.0 t -114.56 -3.61 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.7 2.0 . . . . 0.0 111.3 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.772 ' HG1' ' N ' ' A' ' 41' ' ' NH2 . 1.0 OUTLIER -40.61 -34.3 0.35 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.321 2.248 . . . . 0.0 113.505 167.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -46.39 -24.97 0.57 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.204 2.201 . . . . 0.0 114.642 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.1 8.39 2.72 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.75 2.02 . . . . 0.0 113.279 174.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -142.44 63.22 1.4 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.718 0.69 . . . . 0.0 111.373 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 62.93 -61.06 0.13 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.178 1.791 . . . . 0.0 112.938 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . 0.772 ' N ' ' HG1' ' A' ' 36' ' ' THR . . . . . . . . 0 C--N 1.315 -0.891 0 O-C-N 120.697 -1.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.33 58.05 1.83 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.757 1.223 . . . . 0.0 110.047 175.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.98 -64.88 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.967 0.907 . . . . 0.0 110.377 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -76.57 -40.68 48.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.22 -33.08 26.34 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.426 0.691 . . . . 0.0 111.421 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.18 -40.99 95.02 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.695 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -63.63 -39.06 93.4 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.485 0.314 . . . . 0.0 111.136 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -4.62 37.44 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.41 -51.52 3.94 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 127.015 2.126 . . . . 0.0 110.326 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.92 -27.96 54.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.134 0.574 . . . . 0.0 111.604 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -46.58 74.63 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.428 0.691 . . . . 0.0 112.643 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -24.17 67.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.029 0.932 . . . . 0.0 112.716 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -54.14 5.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.172 1.389 . . . . 0.0 111.687 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -59.25 -15.93 18.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.031 0.932 . . . . 0.0 113.063 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.38 13.17 3.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -98.65 -19.15 6.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 124.854 1.261 . . . . 0.0 111.783 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -97.0 -33.19 11.64 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.595 -1.316 . . . . 0.0 112.461 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -62.16 -14.74 40.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.393 1.077 . . . . 0.0 113.599 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -120.09 19.41 12.27 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.057 2.143 . . . . 0.0 112.222 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.55 30.2 12.67 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.898 0.879 . . . . 0.0 113.281 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 54.76 26.93 8.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.36 1.464 . . . . 0.0 111.234 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 118.958 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tt 59.19 75.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.033 1.333 . . . . 0.0 111.567 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.33 -67.38 1.0 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.256 1.422 . . . . 0.0 109.39 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -44.24 91.67 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.18 -48.83 70.51 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.118 0.967 . . . . 0.0 110.959 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 6' ' ' LEU . 1.3 tp -57.26 -47.0 82.52 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.31 1.044 . . . . 0.0 110.585 173.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -39.17 90.14 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -66.39 -26.92 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.625 1.17 . . . . 0.0 112.8 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -52.77 8.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.049 1.74 . . . . 0.0 111.42 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 13' ' ' LEU . 22.2 tt0 -58.16 -35.5 71.65 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.152 0.581 . . . . 0.0 111.001 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -55.19 35.33 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 116.927 -1.511 . . . . 0.0 111.252 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.74 -34.53 12.32 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.096 0.959 . . . . 0.0 113.172 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 10' ' ' GLU . 5.2 mt -62.46 -69.78 0.24 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.429 1.092 . . . . 0.0 111.824 173.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -57.96 -24.81 59.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.043 0.937 . . . . 0.0 112.979 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' HD23 ' A' ' 34' ' ' LEU . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -136.65 3.97 2.79 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -98.48 -17.09 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.793 2.037 . . . . 0.0 112.224 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -108.73 -38.95 5.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.201 0.91 . . . . 0.0 112.605 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -58.01 -12.62 3.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -134.78 8.47 3.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.721 1.608 . . . . 0.0 113.56 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -164.5 65.15 0.14 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.779 0.832 . . . . 0.0 112.649 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -155.08 -42.07 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 N--CA 1.474 0.758 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD21 HD12 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 2.9 tmtt? . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt . . . . . 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.078 0.769 . . . . 0.0 113.078 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 28' ' ' LEU . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 20' ' ' GLU 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 28' ' ' LEU . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt . . . . . 0 CA--C 1.547 0.853 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp . . . . . 0 CA--C 1.547 0.854 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 29' ' ' ARG . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? . . . . . 0 N--CA 1.469 0.505 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' HD23 ' A' ' 34' ' ' LEU . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 62.2 t80 . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.919 0.39 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 5' ' ' GLU . 4.6 mm? -118.77 56.48 0.89 Allowed 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.25 -0.906 . . . . 0.0 110.524 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.05 -43.33 92.67 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.491 1.117 . . . . 0.0 112.166 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm-85 -64.23 -52.99 56.07 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.767 -0.583 . . . . 0.0 111.447 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' HB2' HD12 ' A' ' 2' ' ' LEU . 0.3 OUTLIER -56.99 -33.43 67.11 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.665 177.345 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.36 -41.35 51.51 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.171 0.989 . . . . 0.0 112.343 173.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -46.59 83.95 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.021 0.528 . . . . 0.0 110.775 174.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -19.87 65.25 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.675 0.79 . . . . 0.0 112.766 174.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 -56.45 3.71 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 126.399 1.88 . . . . 0.0 111.067 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.63 -36.51 67.08 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.62 0.645 . . . . 0.0 110.418 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.9 76.1 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.243 1.017 . . . . 0.0 113.691 173.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -48.07 11.04 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 118.623 0.647 . . . . 0.0 111.342 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.41 -40.81 65.39 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.884 0.874 . . . . 0.0 111.577 174.211 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -18.52 1.04 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.146 1.378 . . . . 0.0 113.945 174.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -44.47 -42.24 6.94 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.75 1.159 . . . . 0.0 112.424 169.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mp -92.57 141.09 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.399 0.68 . . . . 0.0 109.392 172.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -44.33 114.05 1.83 Allowed Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 124.873 1.269 . . . . 0.0 111.93 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.71 -10.07 28.02 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.555 2.17 . . . . 0.0 112.245 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.39 -28.27 17.8 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.541 1.136 . . . . 0.0 112.045 173.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -71.64 -41.68 68.5 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.406 -0.809 . . . . 0.0 110.461 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.23 -50.41 73.78 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.778 176.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.18 -38.22 68.06 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.233 0.924 . . . . 0.0 112.703 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -55.86 28.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.863 0.865 . . . . 0.0 111.115 172.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -66.69 -20.55 66.0 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.358 1.063 . . . . 0.0 112.96 176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -75.98 -47.57 24.46 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.614 1.566 . . . . 0.0 110.846 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.22 99.38 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.041 0.837 . . . . 0.0 111.638 179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.8 p -67.72 -9.95 48.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 173.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.2 mt -101.45 -38.75 7.86 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.509 1.523 . . . . 0.0 111.828 171.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -44.99 84.99 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 120.447 -1.408 . . . . 0.0 111.146 177.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -62.22 -29.88 70.7 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 122.675 0.39 . . . . 0.0 111.829 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -61.27 -63.2 1.36 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.398 167.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.6 mt -53.73 -28.02 31.81 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.423 1.011 . . . . 0.0 113.651 -173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 t30 -48.38 -31.85 6.74 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.645 2.378 . . . . 0.0 113.375 169.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.95 3.44 2.45 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 174.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.5 t -96.0 -20.05 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 126.534 1.933 . . . . 0.0 112.022 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.86 -25.42 11.23 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.024 0.93 . . . . 0.0 111.677 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -13.53 2.15 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.351 1.86 . . . . 0.0 114.582 176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -136.07 9.18 3.25 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.482 2.313 . . . . 0.0 113.362 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 63.56 0.46 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.755 1.622 . . . . 0.0 110.652 -175.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -76.11 -33.16 59.47 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.656 0.782 . . . . 0.0 112.794 172.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 O-C-N 118.958 -2.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 27.1 p90 . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.33 68.87 0.78 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.37 1.068 . . . . 0.0 110.039 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.7 -38.41 67.0 Favored 'General case' 0 C--O 1.223 -0.338 0 O-C-N 121.037 -1.039 . . . . 0.0 110.781 179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.5 -21.33 25.26 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 175.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.89 -31.99 72.17 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.18 0.992 . . . . 0.0 111.002 175.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.598 HD13 ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -59.31 -29.93 67.98 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 123.812 0.845 . . . . 0.0 111.194 172.126 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -68.03 -34.93 77.41 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.362 -0.836 . . . . 0.0 110.9 -177.047 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.04 -7.81 56.33 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.067 0.947 . . . . 0.0 113.298 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -94.99 -52.95 4.01 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.516 1.927 . . . . 0.0 110.912 177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -55.73 -30.99 62.1 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.073 0.949 . . . . 0.0 111.322 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -43.85 78.64 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 171.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.29 -35.29 61.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.739 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -78.41 4.76 12.23 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.151 1.38 . . . . 0.0 112.772 175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -52.0 -18.16 1.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.634 1.574 . . . . 0.0 113.587 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -48.12 -33.15 7.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.824 1.249 . . . . 0.0 113.969 172.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 HD11 ' CD2' ' A' ' 21' ' ' LEU . 0.7 OUTLIER -99.17 145.9 26.72 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.345 0.403 . . . . 0.0 110.86 166.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 m -45.02 111.57 1.32 Allowed Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 125.017 1.327 . . . . 0.0 112.061 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -67.06 -19.39 51.52 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.664 2.243 . . . . 0.0 112.422 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -76.03 -27.82 57.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.856 0.862 . . . . 0.0 112.582 171.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.23 -43.31 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.84 0.745 . . . . 0.0 111.001 -176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD2' HD11 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -60.27 -52.08 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 118.592 -0.718 . . . . 0.0 111.329 173.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.37 -27.52 36.91 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.7 ttt-85 -62.85 -60.09 3.96 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.253 1.421 . . . . 0.0 111.972 174.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -58.82 -30.0 67.32 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.44 0.696 . . . . 0.0 112.084 172.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -46.36 70.43 Favored 'General case' 0 C--O 1.22 -0.477 0 C-N-CA 124.556 1.142 . . . . 0.0 112.098 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.81 -47.35 86.72 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 120.097 1.317 . . . . 0.0 111.179 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 m -63.83 -10.11 18.56 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.78 -36.95 8.09 Favored 'General case' 0 C--O 1.224 -0.277 0 C-N-CA 124.868 1.267 . . . . 0.0 112.229 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -41.16 95.12 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.842 1.657 . . . . 0.0 111.741 -178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -26.47 64.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 171.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.584 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.9 t80 -69.51 -67.69 0.46 Allowed 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.901 1.28 . . . . 0.0 109.379 175.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -53.84 -16.89 1.99 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.664 1.586 . . . . 0.0 114.852 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -48.7 -41.77 32.84 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.775 1.63 . . . . 0.0 111.92 165.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -141.41 12.69 2.15 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.625 1.343 . . . . 0.0 114.625 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 HG21 ' CG ' ' A' ' 31' ' ' TYR . 6.2 t -92.06 -28.7 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.472 1.109 . . . . 0.0 112.383 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -81.89 -40.66 22.04 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -59.94 -10.69 4.34 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.544 1.312 . . . . 0.0 114.544 175.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -134.15 7.96 3.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.492 1.917 . . . . 0.0 113.347 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -167.76 71.29 0.1 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.088 1.355 . . . . 0.0 111.665 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -158.94 -174.22 4.64 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.285 -0.884 . . . . 0.0 111.761 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.687 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.6 p90 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 71.2 -62.66 0.45 Allowed 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.868 1.667 . . . . 0.0 112.097 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -48.01 -39.38 19.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.33 1.852 . . . . 0.0 112.222 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -73.0 -52.23 15.22 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 125.378 1.471 . . . . 0.0 110.894 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -53.88 -46.95 71.5 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 124.147 0.979 . . . . 0.0 110.456 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -53.6 -36.49 62.01 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 118.896 0.771 . . . . 0.0 112.95 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -43.2 74.22 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.123 0.969 . . . . 0.0 112.037 174.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.7 ttmt -67.22 -17.96 65.03 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.167 0.987 . . . . 0.0 113.172 171.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.12 -52.03 6.23 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 125.981 1.713 . . . . 0.0 110.749 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.04 -27.56 53.75 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 119.217 -0.42 . . . . 0.0 111.424 177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -50.87 65.74 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 124.205 1.002 . . . . 0.0 113.592 169.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -32.84 73.08 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.881 0.873 . . . . 0.0 111.372 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.548 ' O ' HD23 ' A' ' 16' ' ' LEU . 72.9 mt -70.22 -53.69 15.97 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.239 0.615 . . . . 0.0 112.034 174.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -15.03 44.57 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 120.279 -1.513 . . . . 0.0 113.187 172.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -54.28 -35.88 63.05 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 120.629 -1.294 . . . . 0.0 111.953 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -98.58 151.73 20.35 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 124.123 0.89 . . . . 0.0 110.225 166.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.4 m -50.03 113.9 3.85 Favored Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 125.071 1.348 . . . . 0.0 112.49 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -67.72 -16.14 45.77 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.909 2.406 . . . . 0.0 112.701 -175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -86.92 -23.77 25.05 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.97 1.308 . . . . 0.0 112.448 172.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.68 -37.98 59.09 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 121.187 -0.946 . . . . 0.0 110.644 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 HD21 ' A' ' 16' ' ' LEU . 0.9 OUTLIER -62.91 -54.52 37.35 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.855 176.289 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -51.39 -39.81 57.97 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.096 0.959 . . . . 0.0 112.215 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -59.37 5.36 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.712 -0.617 . . . . 0.0 111.695 172.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -58.0 -27.5 63.55 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.998 0.919 . . . . 0.0 112.645 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.74 -47.68 77.33 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 127.185 2.194 . . . . 0.0 111.047 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.87 98.2 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.754 1.161 . . . . 0.0 111.04 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.9 p -65.67 -9.13 24.81 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 173.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.24 -35.55 7.96 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.579 1.552 . . . . 0.0 111.409 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -76.22 -41.96 47.57 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.63 1.572 . . . . 0.0 112.499 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.53 -33.83 68.5 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.574 0.75 . . . . 0.0 110.823 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -59.27 -61.98 2.23 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 118.125 -0.94 . . . . 0.0 109.447 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 mt -49.35 -31.23 8.93 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 117.551 -1.214 . . . . 0.0 113.101 -172.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -39.19 -43.79 1.13 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.843 2.057 . . . . 0.0 113.291 167.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 14.87 4.01 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 175.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.8 t -104.03 -15.26 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.821 1.649 . . . . 0.0 112.225 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.2 p -107.66 -36.11 6.52 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.727 -1.233 . . . . 0.0 112.554 176.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -16.87 17.58 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.321 1.448 . . . . 0.0 114.457 173.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -120.62 14.24 11.79 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.98 2.112 . . . . 0.0 112.512 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mtt180 62.07 25.57 15.33 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.184 1.393 . . . . 0.0 114.098 177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 63.6 -52.27 0.23 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.191 2.596 . . . . 0.0 113.999 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.42 -2.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.5 p90 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.65 66.3 9.41 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.511 -1.368 . . . . 0.0 111.943 -175.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.75 -48.75 77.83 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.3 1.04 . . . . 0.0 112.484 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -57.12 -43.63 82.5 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 122.977 0.511 . . . . 0.0 111.521 177.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -64.91 -39.28 93.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.759 0.423 . . . . 0.0 111.188 175.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -30.74 24.98 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.349 173.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.63 -39.65 94.08 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.685 0.994 . . . . 0.0 113.685 173.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.6 -11.98 60.6 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 171.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.73 -54.63 4.15 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 124.878 1.271 . . . . 0.0 110.023 176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -54.67 -30.32 55.19 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.442 1.097 . . . . 0.0 111.904 178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -64.03 0.94 Allowed 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 124.2 1.0 . . . . 0.0 112.746 174.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -20.92 66.62 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.471 0.578 . . . . 0.0 112.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 13' ' ' LEU . 2.4 tp -58.03 -36.39 72.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.348 -1.47 . . . . 0.0 111.506 170.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 14' ' ' LYS . 2.9 tmtt? -54.67 -17.48 3.43 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.457 1.026 . . . . 0.0 112.922 173.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.47 -41.54 2.09 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.423 1.489 . . . . 0.0 113.227 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.5 158.01 17.55 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.713 1.605 . . . . 0.0 110.565 172.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.6 m -50.97 116.13 6.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.843 1.257 . . . . 0.0 112.093 -177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.95 -9.44 24.91 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.45 2.767 . . . . 0.0 113.242 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -99.78 -20.86 16.02 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.387 1.475 . . . . 0.0 112.807 176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.55 -35.94 52.73 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.286 1.034 . . . . 0.0 109.859 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.59 -50.86 56.3 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.141 0.576 . . . . 0.0 111.791 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -55.69 -39.0 70.4 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.611 0.641 . . . . 0.0 111.616 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -44.52 96.32 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.332 -0.855 . . . . 0.0 112.136 173.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -22.68 66.72 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.036 173.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -72.97 -45.71 56.42 Favored 'General case' 0 C--O 1.219 -0.53 0 C-N-CA 125.72 1.608 . . . . 0.0 111.156 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.46 -43.97 93.1 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.421 1.01 . . . . 0.0 111.828 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.8 m -64.11 -15.06 58.87 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 173.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD11 HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -95.04 -51.14 4.78 Favored 'General case' 0 C--O 1.223 -0.323 0 C-N-CA 125.957 1.703 . . . . 0.0 110.19 173.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -51.61 -37.93 52.33 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 125.502 1.521 . . . . 0.0 110.708 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -77.41 -38.2 50.22 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.392 1.077 . . . . 0.0 113.499 173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.5 t80 -57.19 -58.98 5.86 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 124.976 1.31 . . . . 0.0 110.81 172.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.649 HD23 HD11 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -59.99 -27.56 66.96 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.026 0.93 . . . . 0.0 112.128 177.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -58.06 -26.88 63.06 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.193 0.997 . . . . 0.0 111.774 176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.3 mt -107.86 17.49 22.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.625 1.57 . . . . 0.0 111.821 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.502 ' HA ' ' CD1' ' A' ' 40' ' ' TYR . 60.2 t -120.82 -112.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.189 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 -32.94 71.32 Favored 'General case' 0 CA--C 1.518 -0.278 0 C-N-CA 125.826 1.65 . . . . 0.0 111.644 -177.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -7.86 31.58 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.165 0.986 . . . . 0.0 113.334 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 13.71 7.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.762 2.025 . . . . 0.0 112.927 176.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? 54.48 57.18 6.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.871 1.268 . . . . 0.0 112.672 -174.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 2.1 t80 -39.41 92.44 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.877 2.071 . . . . 0.0 115.272 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.686 0 O-C-N 119.397 -2.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 4.9 p90 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.49 -61.09 0.06 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.12 0.968 . . . . 0.0 110.832 172.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -70.71 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.785 2.034 . . . . 0.0 114.035 176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -42.28 66.75 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.422 -0.799 . . . . 0.0 113.017 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -58.2 -51.52 69.39 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.347 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.1 mt -51.19 -38.56 53.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 119.52 1.055 . . . . 0.0 111.833 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -47.92 75.29 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.195 0.598 . . . . 0.0 111.847 173.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -63.95 -17.77 63.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.139 1.375 . . . . 0.0 114.328 171.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -53.93 4.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.387 1.875 . . . . 0.0 110.341 175.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' HA ' HD12 ' A' ' 13' ' ' LEU . 1.8 tt0 -61.87 -41.89 98.41 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.951 177.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -60.12 -21.45 61.58 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 173.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -77.29 -73.31 0.31 Allowed 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.485 1.039 . . . . 0.0 109.398 170.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -56.92 -23.01 41.93 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -173.116 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.595 ' N ' HD13 ' A' ' 13' ' ' LEU . 10.3 tmtt? -48.49 -21.11 0.5 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.532 1.933 . . . . 0.0 113.078 168.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.33 -30.67 2.18 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.244 1.418 . . . . 0.0 113.607 170.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -96.95 135.81 38.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.322 1.449 . . . . 0.0 109.916 165.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.9 m -41.13 110.58 0.74 Allowed Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 126.011 1.724 . . . . 0.0 113.104 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.69 -11.84 33.48 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.169 2.579 . . . . 0.0 113.33 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -88.5 -30.33 19.45 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.388 1.475 . . . . 0.0 112.085 171.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.83 -41.41 64.89 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 121.221 -0.925 . . . . 0.0 110.057 -177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.6 -49.44 77.75 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.922 176.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -56.17 -44.45 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.671 0.788 . . . . 0.0 111.874 177.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -61.42 -42.75 99.23 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.592 0.757 . . . . 0.0 112.68 175.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -23.34 65.78 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.79 0.836 . . . . 0.0 112.666 172.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.09 -47.38 20.67 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 125.427 1.491 . . . . 0.0 110.645 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.63 99.51 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.588 1.085 . . . . 0.0 111.658 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.4 p -68.05 -8.72 40.23 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 125.352 1.461 . . . . 0.0 114.234 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -104.72 -38.29 6.75 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 171.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.2 ttp85 -60.51 -40.31 90.95 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.902 1.681 . . . . 0.0 111.616 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -74.05 -24.29 59.51 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.784 ' CE2' HG11 ' A' ' 35' ' ' VAL . 3.8 t80 -70.96 -65.26 0.76 Allowed 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.0 1.32 . . . . 0.0 109.807 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 pp -53.44 -12.08 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.129 1.772 . . . . 0.0 114.484 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -50.8 -54.44 23.59 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.659 1.184 . . . . 0.0 112.018 163.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -111.59 -36.42 5.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.64 0.776 . . . . 0.0 111.189 178.355 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.784 HG11 ' CE2' ' A' ' 31' ' ' TYR . 12.2 t -70.9 2.17 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 126.57 1.948 . . . . 0.0 112.091 176.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -43.75 -16.61 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.494 1.918 . . . . 0.0 113.781 154.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.9 31.16 5.83 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.288 1.035 . . . . 0.0 110.557 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 57.53 13.01 1.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.813 1.645 . . . . 0.0 114.608 -170.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -163.36 70.38 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.117 0.871 . . . . 0.0 113.147 -174.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.4 t80 56.9 -39.32 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 127.302 2.241 . . . . 0.0 116.345 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.83 0 O-C-N 118.012 -2.93 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 17.4 p90 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 117.715 -1.136 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp 47.99 43.16 17.63 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.658 1.983 . . . . 0.0 114.412 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -51.97 60.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.413 1.085 . . . . 0.0 112.814 -176.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -53.02 -50.75 63.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.777 0.831 . . . . 0.0 111.22 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -47.46 86.17 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.165 0.986 . . . . 0.0 111.065 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mt -51.61 -43.75 62.63 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.024 0.93 . . . . 0.0 112.027 174.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -61.87 -46.17 90.58 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.317 0.647 . . . . 0.0 111.59 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -65.42 -12.7 54.84 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 170.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 -51.41 5.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.748 2.019 . . . . 0.0 111.355 177.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -55.06 -39.29 69.06 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.184 0.594 . . . . 0.0 109.889 176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -47.52 82.47 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.145 -0.931 . . . . 0.0 112.303 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -40.08 89.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.058 0.943 . . . . 0.0 111.45 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.23 -54.4 34.01 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.312 -0.868 . . . . 0.0 112.812 174.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -62.73 -17.22 60.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.086 1.354 . . . . 0.0 113.24 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -52.13 -35.73 49.18 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.655 1.182 . . . . 0.0 112.177 178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.72 147.76 24.03 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 123.873 0.733 . . . . 0.0 109.856 168.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.6 m -50.45 113.96 4.08 Favored Pre-proline 0 CA--C 1.541 0.62 0 C-N-CA 123.919 0.888 . . . . 0.0 112.378 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -67.05 -18.8 51.83 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.857 2.372 . . . . 0.0 112.308 -175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -87.15 -21.25 26.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.363 1.065 . . . . 0.0 112.753 173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -76.32 -44.89 34.76 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.653 0.781 . . . . 0.0 110.019 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.36 -46.19 86.76 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 123.224 0.61 . . . . 0.0 111.887 178.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -55.4 -45.81 76.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.773 0.829 . . . . 0.0 111.695 175.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -43.33 99.06 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.3 0.64 . . . . 0.0 111.916 175.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -24.17 67.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.182 1.393 . . . . 0.0 113.045 172.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.07 -45.13 59.13 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 126.425 1.89 . . . . 0.0 111.519 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.07 -45.73 91.9 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.148 0.886 . . . . 0.0 111.348 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 m -59.67 -19.21 48.07 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -92.19 -51.77 5.01 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.217 1.807 . . . . 0.0 110.806 176.51 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -53.81 -39.77 65.79 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 125.135 1.374 . . . . 0.0 110.574 -178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -62.57 -45.93 90.67 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.193 0.997 . . . . 0.0 112.889 173.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -49.04 -58.2 5.31 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 123.996 0.919 . . . . 0.0 110.007 171.347 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.5 -34.2 64.41 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -59.2 -27.63 65.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.181 1.393 . . . . 0.0 113.011 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.6 mt -111.35 19.68 18.03 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.368 1.867 . . . . 0.0 111.61 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 31' ' ' TYR . 91.3 t -118.36 -106.56 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.392 1.477 . . . . 0.0 107.64 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.425 ' N ' HG12 ' A' ' 35' ' ' VAL . 3.2 p -59.05 -34.58 72.09 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 125.087 1.355 . . . . 0.0 112.374 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -11.18 28.67 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.453 1.101 . . . . 0.0 113.652 175.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -134.8 6.36 3.43 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.776 2.03 . . . . 0.0 113.957 178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -175.3 69.67 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 127.874 2.47 . . . . 0.0 110.009 -171.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -76.44 115.2 15.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.857 0.863 . . . . 0.0 110.841 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 O-C-N 119.937 -1.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 15.5 t80 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 117.757 -1.116 . . . . 0.0 108.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 75.29 -48.11 0.62 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.185 1.794 . . . . 0.0 112.431 174.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -57.39 1.49 Allowed 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 126.46 1.904 . . . . 0.0 112.761 168.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -50.86 -45.25 59.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.929 1.24 . . . . 0.0 113.779 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -60.97 -38.97 87.84 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 111.618 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 6' ' ' LEU . 6.9 tp -72.45 -34.16 67.56 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.64 0.776 . . . . 0.0 111.811 170.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -63.19 -42.01 99.27 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 119.936 -1.727 . . . . 0.0 111.303 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -70.1 -10.47 58.86 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 169.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -47.99 6.56 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.281 1.832 . . . . 0.0 111.301 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.09 -32.6 66.45 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.989 0.915 . . . . 0.0 110.916 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -54.12 -39.75 66.72 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.16 0.984 . . . . 0.0 112.588 171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -73.29 -46.55 49.05 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 123.825 0.85 . . . . 0.0 110.152 175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.38 -32.77 73.62 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.572 -1.33 . . . . 0.0 113.57 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -56.6 -15.57 4.63 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.624 1.97 . . . . 0.0 113.494 169.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -48.98 -37.62 20.75 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.797 1.18 . . . . 0.0 112.41 173.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 144.29 25.98 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.721 0.638 . . . . 0.0 109.693 170.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -48.52 111.45 1.84 Allowed Pre-proline 0 CA--C 1.544 0.718 0 C-N-CA 124.456 1.102 . . . . 0.0 112.334 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -67.0 -19.39 51.85 Favored 'Trans proline' 0 C--N 1.352 0.745 0 C-N-CA 122.869 2.379 . . . . 0.0 112.53 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -83.86 -24.4 30.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 112.636 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -74.27 -42.79 59.03 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 121.561 -0.712 . . . . 0.0 110.508 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -51.45 69.77 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.109 176.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -55.85 -44.05 77.65 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.057 0.943 . . . . 0.0 111.846 177.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.75 -48.7 80.62 Favored 'General case' 0 CA--C 1.531 0.239 0 O-C-N 121.623 -0.673 . . . . 0.0 111.692 174.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -28.77 69.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.418 1.087 . . . . 0.0 112.448 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -47.68 71.95 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 127.265 2.226 . . . . 0.0 111.56 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.71 -44.62 90.41 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.62 1.1 . . . . 0.0 111.462 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -60.89 -15.42 30.57 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.157 1.383 . . . . 0.0 114.652 171.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD11 HD23 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -98.68 -47.99 5.13 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.822 2.049 . . . . 0.0 110.378 175.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.0 ttt-85 -58.54 -35.74 72.78 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.722 1.609 . . . . 0.0 111.666 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.02 -32.77 63.5 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 123.362 0.665 . . . . 0.0 112.032 170.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.517 ' CG ' HG21 ' A' ' 35' ' ' VAL . 1.6 t80 -60.21 -69.81 0.2 Allowed 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 124.615 1.166 . . . . 0.0 109.388 172.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 28' ' ' LEU . 4.5 pp -51.76 -25.14 6.91 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.231 1.012 . . . . 0.0 113.62 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -27.69 43.26 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.435 1.894 . . . . 0.0 113.854 171.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -140.57 8.0 2.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.081 1.352 . . . . 0.0 113.65 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 31' ' ' TYR . 4.3 t -99.29 -21.73 5.03 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.69 0 C-N-CA 126.138 1.775 . . . . 0.0 112.344 178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.4 p -109.33 -31.99 7.34 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.052 -1.03 . . . . 0.0 113.429 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -56.76 -20.54 22.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.659 1.584 . . . . 0.0 114.333 170.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.76 14.15 32.65 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.317 1.847 . . . . 0.0 113.821 176.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.95 44.49 13.42 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.569 1.548 . . . . 0.0 111.819 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 41' ' ' NH2 0.274 1.9 t80 -120.88 -138.1 0.33 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 125.919 1.687 . . . . 0.0 107.814 176.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . 0.422 ' N ' ' CD1' ' A' ' 40' ' ' TYR . . . . . . . . 0 C--N 1.32 -0.711 0 O-C-N 117.333 -3.354 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 37.7 p90 . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tp 74.27 67.31 0.09 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.295 1.838 . . . . 0.0 113.643 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.92 -34.38 62.12 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.994 -1.066 . . . . 0.0 112.714 177.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.19 13.3 4.29 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -115.94 -49.98 2.69 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 126.058 1.743 . . . . 0.0 111.186 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -57.1 -23.21 45.35 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.556 0.616 . . . . 0.0 112.512 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -43.56 98.46 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 172.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -9.97 59.09 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.604 0.762 . . . . 0.0 112.756 173.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.11 -46.98 8.41 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.966 1.306 . . . . 0.0 111.416 174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -53.51 -34.26 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 122.865 0.466 . . . . 0.0 111.774 176.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.58 -44.27 26.14 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.365 1.466 . . . . 0.0 113.733 170.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.62 -45.71 20.94 Favored 'General case' 0 C--O 1.226 -0.151 0 CA-C-N 118.39 0.541 . . . . 0.0 111.051 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 21' ' ' LEU . 2.2 tp -52.64 -27.63 17.99 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.507 0.723 . . . . 0.0 111.876 174.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -8.8 2.49 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 172.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -48.16 -43.05 31.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.865 1.666 . . . . 0.0 112.559 170.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 36.82 0.53 Allowed 'General case' 0 C--O 1.217 -0.65 0 C-N-CA 124.38 1.072 . . . . 0.0 112.134 174.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.99 145.07 0.05 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 C-N-CA 129.075 2.95 . . . . 0.0 116.136 -171.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -68.89 -41.56 5.36 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.038 1.826 . . . . 0.0 112.186 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.13 -28.79 63.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 122.853 0.461 . . . . 0.0 111.548 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -42.7 97.79 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.601 1.16 . . . . 0.0 110.824 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.1 -51.65 60.11 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 119.322 -0.37 . . . . 0.0 111.018 175.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -54.56 -33.89 60.95 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 122.996 0.518 . . . . 0.0 112.026 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -57.3 -58.16 9.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.227 1.011 . . . . 0.0 111.293 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -60.67 -29.27 69.19 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.548 0.739 . . . . 0.0 112.136 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.83 -43.54 92.74 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 125.754 1.622 . . . . 0.0 112.6 176.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.09 -47.48 85.73 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.756 1.162 . . . . 0.0 111.719 176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 m -67.78 -4.95 13.99 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.015 1.326 . . . . 0.0 114.175 172.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.9 mt -105.89 -28.71 10.44 Favored 'General case' 0 C--O 1.222 -0.361 0 C-N-CA 125.109 1.364 . . . . 0.0 112.126 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.55 -56.79 9.18 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 125.077 1.351 . . . . 0.0 110.323 178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.32 -26.67 68.58 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 119.508 -0.282 . . . . 0.0 111.628 177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CZ ' HG21 ' A' ' 35' ' ' VAL . 31.3 t80 -70.75 -63.15 1.15 Allowed 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.299 1.44 . . . . 0.0 110.645 175.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.52 -31.92 37.9 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.42 1.488 . . . . 0.0 111.655 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -52.96 -26.6 15.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.384 1.474 . . . . 0.0 114.247 172.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.89 -0.12 4.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.122 1.369 . . . . 0.0 114.041 175.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG21 ' CZ ' ' A' ' 31' ' ' TYR . 3.0 t -102.07 -23.58 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 126.374 1.869 . . . . 0.0 112.8 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.07 -17.02 11.55 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.041 1.336 . . . . 0.0 110.939 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -13.48 25.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.958 1.703 . . . . 0.0 114.288 170.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -135.39 8.22 3.38 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.563 2.345 . . . . 0.0 112.945 176.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -156.1 64.23 0.57 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.586 0.708 . . . . 0.0 112.399 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -66.93 97.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.593 1.187 . . . . 0.0 111.951 -177.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.669 0 O-C-N 119.449 -2.032 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.4 p90 . . . . . 0 N--CA 1.486 1.343 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.04 74.06 10.57 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 120.912 -1.117 . . . . 0.0 110.567 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.62 -43.54 96.55 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.067 -1.021 . . . . 0.0 112.195 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.25 -32.01 46.33 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.477 -0.764 . . . . 0.0 112.628 176.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -59.0 -44.47 91.67 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-O 118.1 -0.952 . . . . 0.0 111.698 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -54.53 -40.13 68.34 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.116 0.871 . . . . 0.0 111.598 173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' HG2' HH21 ' A' ' 11' ' ' ARG . 9.4 tttt -63.22 -42.59 99.27 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.137 0.575 . . . . 0.0 111.923 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -70.84 -12.59 61.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.69 1.196 . . . . 0.0 113.109 172.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.9 -50.23 6.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 126.279 1.832 . . . . 0.0 110.93 177.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -56.96 -35.07 68.69 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.952 0.501 . . . . 0.0 110.699 177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.528 HH21 ' HG2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -55.4 -37.28 67.41 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.257 1.023 . . . . 0.0 113.731 171.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.91 -44.93 79.51 Favored 'General case' 0 C--O 1.224 -0.266 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 175.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.53 -29.59 66.11 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.868 -1.145 . . . . 0.0 112.329 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -59.93 -12.68 8.31 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.771 2.028 . . . . 0.0 113.201 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -51.77 -37.43 51.32 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.817 1.19 . . . . 0.0 112.195 169.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 20' ' ' GLU 0.257 0.3 OUTLIER -89.72 21.44 3.52 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 176.782 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m 70.59 139.74 0.07 OUTLIER Pre-proline 0 CA--C 1.544 0.75 0 C-N-CA 128.596 2.758 . . . . 0.0 112.883 -168.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -70.51 -38.58 5.99 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 122.118 1.878 . . . . 0.0 111.762 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.27 -19.86 60.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.166 0.587 . . . . 0.0 112.079 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -75.0 -39.6 61.14 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.855 1.262 . . . . 0.0 111.067 177.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -50.79 64.98 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 118.762 -0.637 . . . . 0.0 109.903 175.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -54.95 -37.8 66.92 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.2 0.6 . . . . 0.0 112.297 176.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -57.1 -53.8 53.96 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.002 0.921 . . . . 0.0 111.858 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -66.61 -19.95 65.89 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.937 0.895 . . . . 0.0 112.779 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.0 -46.61 28.61 Favored 'General case' 0 C--O 1.221 -0.433 0 C-N-CA 125.407 1.483 . . . . 0.0 111.514 177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.27 95.98 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.475 1.034 . . . . 0.0 111.703 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 p -64.73 -11.75 39.55 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 mt -100.58 -46.45 5.19 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 125.133 1.373 . . . . 0.0 112.224 172.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.98 -38.96 68.48 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.069 1.348 . . . . 0.0 111.593 178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.85 -32.49 69.53 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 173.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -65.53 -59.77 3.63 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 118.332 -0.842 . . . . 0.0 108.953 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -53.45 -27.05 22.72 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.338 1.055 . . . . 0.0 112.047 -173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -44.83 -33.02 1.77 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.734 1.614 . . . . 0.0 114.283 167.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.66 8.9 1.97 Allowed 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.9 t -96.15 -24.85 4.48 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 C-N-CA 125.154 1.381 . . . . 0.0 110.914 179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -64.44 -41.05 96.78 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.186 0.903 . . . . 0.0 112.601 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -58.79 -10.65 2.51 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 114.449 1.277 . . . . 0.0 114.449 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -138.22 9.12 2.73 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.411 1.885 . . . . 0.0 113.534 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.6 ttm-85 -174.75 68.5 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.66 1.584 . . . . 0.0 111.088 -170.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -142.23 -97.15 0.13 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.352 1.061 . . . . 0.0 110.426 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.593 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.04 69.32 0.33 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.233 1.013 . . . . 0.0 111.024 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.96 -33.75 76.04 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.135 -0.978 . . . . 0.0 111.867 178.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -53.61 -36.6 62.16 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.902 -0.499 . . . . 0.0 112.322 170.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -42.04 85.49 Favored 'General case' 0 C--O 1.225 -0.194 0 CA-C-O 118.596 -0.716 . . . . 0.0 111.244 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.45 -38.93 72.31 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.636 0.774 . . . . 0.0 111.749 175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -44.68 95.11 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.004 0.522 . . . . 0.0 111.034 173.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -69.74 -7.36 38.75 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 171.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 tp -95.0 -48.32 6.03 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 126.195 1.798 . . . . 0.0 111.073 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.05 -33.69 62.92 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.843 0.857 . . . . 0.0 111.184 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -49.65 75.19 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.989 0.916 . . . . 0.0 112.709 172.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.49 -36.68 63.25 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 119.05 -0.5 . . . . 0.0 111.25 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -54.72 -25.63 28.74 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.579 1.151 . . . . 0.0 113.063 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -12.87 3.12 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.95 1.3 . . . . 0.0 113.77 168.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.58 -37.0 16.77 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.46 1.504 . . . . 0.0 112.354 169.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -94.14 23.76 4.81 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-O 118.674 -0.679 . . . . 0.0 112.387 177.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m 67.98 143.75 0.09 OUTLIER Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 128.434 2.693 . . . . 0.0 113.785 -169.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -74.36 -36.0 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.324 2.016 . . . . 0.0 112.29 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -75.47 -13.12 60.36 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.818 0.847 . . . . 0.0 112.213 176.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -86.28 -33.88 20.53 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.064 0.946 . . . . 0.0 111.486 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.39 -49.64 53.47 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 121.602 -0.686 . . . . 0.0 110.621 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -52.57 -34.85 52.33 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.49 0.716 . . . . 0.0 112.139 177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -55.42 -58.6 7.08 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.238 1.015 . . . . 0.0 111.559 172.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.68 -24.08 67.64 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.794 0.838 . . . . 0.0 112.809 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.97 -43.41 65.2 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 124.972 1.309 . . . . 0.0 111.677 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -47.42 85.99 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.21 0.914 . . . . 0.0 111.071 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.4 t -66.13 -10.89 45.19 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.774 1.23 . . . . 0.0 113.459 173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 28' ' ' LEU . 20.3 mt -100.94 -24.82 14.27 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.954 1.302 . . . . 0.0 112.372 171.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 ttt85 -88.39 -42.31 12.26 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.56 1.944 . . . . 0.0 112.916 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -56.87 -31.09 64.48 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.853 0.861 . . . . 0.0 111.078 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -60.45 -60.28 4.06 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 124.022 0.929 . . . . 0.0 111.244 167.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -49.11 -30.2 6.26 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.062 1.345 . . . . 0.0 113.215 -172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -41.99 -36.49 1.12 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.969 2.108 . . . . 0.0 113.773 168.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.6 6.78 2.99 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 172.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.35 -20.1 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.704 1.602 . . . . 0.0 111.744 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.65 -17.18 12.66 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.984 -1.073 . . . . 0.0 111.8 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -61.86 -15.2 40.44 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.422 1.889 . . . . 0.0 114.389 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -131.27 20.57 4.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.969 2.508 . . . . 0.0 112.301 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.64 23.62 12.84 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.463 1.105 . . . . 0.0 113.326 174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.59 -39.77 0.2 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.737 2.415 . . . . 0.0 113.215 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.738 0 O-C-N 119.026 -2.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 32.0 p90 . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 119.404 -0.331 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 tp -78.39 75.57 4.91 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.799 1.64 . . . . 0.0 109.802 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -66.34 -33.72 76.35 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 123.676 0.79 . . . . 0.0 113.088 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -53.47 146.74 12.05 Favored 'General case' 0 C--N 1.343 0.295 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 170.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 82.34 -36.54 0.1 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.054 1.742 . . . . 0.0 111.177 -178.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.96 -29.82 55.74 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.343 -0.848 . . . . 0.0 111.629 174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.53 98.75 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.464 -0.773 . . . . 0.0 112.429 175.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -11.55 61.0 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.6 -55.3 3.7 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.063 1.745 . . . . 0.0 109.496 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -54.58 -28.74 48.2 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.891 0.876 . . . . 0.0 112.085 178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -52.07 -37.43 53.79 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -36.05 26.18 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.053 0.941 . . . . 0.0 111.602 174.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mp -55.58 -31.03 61.87 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.123 1.329 . . . . 0.0 112.763 174.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -54.2 -15.15 1.38 Allowed 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 169.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -45.87 -41.9 11.84 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 120.861 -1.149 . . . . 0.0 112.591 169.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.16 142.34 27.73 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.889 0.743 . . . . 0.0 109.175 170.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.0 110.51 1.09 Allowed Pre-proline 0 CA--C 1.542 0.668 0 C-N-CA 126.01 1.724 . . . . 0.0 112.277 177.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -69.01 -11.78 32.68 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.365 2.71 . . . . 0.0 113.009 -175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.9 -25.51 22.08 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.698 1.199 . . . . 0.0 112.039 171.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.71 -37.46 59.42 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.165 -0.96 . . . . 0.0 110.68 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.98 -50.83 67.04 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.776 -0.63 . . . . 0.0 110.567 175.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -52.14 -38.08 56.44 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.205 1.002 . . . . 0.0 112.558 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -56.98 -60.87 2.94 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.503 0.721 . . . . 0.0 111.461 172.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -56.76 -24.07 47.44 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.691 1.196 . . . . 0.0 112.835 174.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.41 -49.24 17.23 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 125.949 1.7 . . . . 0.0 111.568 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.78 98.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.367 0.985 . . . . 0.0 111.391 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 p -68.24 -6.86 25.93 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.9 mt -102.39 -41.09 6.44 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 124.587 1.155 . . . . 0.0 111.289 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -47.0 84.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.771 1.623 . . . . 0.0 111.946 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -69.21 -23.51 63.91 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' CG ' HG21 ' A' ' 35' ' ' VAL . 2.9 t80 -75.61 -66.5 0.77 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.084 1.754 . . . . 0.0 109.608 176.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.38 -25.58 4.02 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.932 2.093 . . . . 0.0 113.587 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -46.45 -36.34 6.49 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 127.257 2.223 . . . . 0.0 112.863 168.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.86 9.72 2.39 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 175.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.496 HG21 ' CG ' ' A' ' 31' ' ' TYR . 4.4 t -97.87 -23.59 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.359 1.464 . . . . 0.0 112.367 177.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.57 -18.83 13.63 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.776 1.231 . . . . 0.0 111.718 -177.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -63.4 -15.56 57.92 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 113.112 175.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -133.06 8.33 4.04 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.61 1.964 . . . . 0.0 113.739 178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -163.35 74.14 0.34 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.742 1.617 . . . . 0.0 110.864 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -101.27 -57.42 2.09 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 123.596 0.758 . . . . 0.0 111.594 178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.536 0 O-C-N 119.769 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.462 ' O ' HD22 ' A' ' 2' ' ' LEU . 23.3 t80 . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 1' ' ' TYR . 3.3 mm? -124.14 39.68 3.91 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.106 0.962 . . . . 0.0 112.068 -178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.68 -45.4 92.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.625 1.17 . . . . 0.0 112.71 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -57.53 -56.59 19.9 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.461 0.705 . . . . 0.0 111.578 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -60.91 -43.01 99.16 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.581 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.0 mt -50.77 -43.9 58.53 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 119.205 0.911 . . . . 0.0 111.984 172.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -38.4 90.13 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 174.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -14.21 61.25 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 171.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.99 -51.84 5.4 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 127.019 2.128 . . . . 0.0 110.813 178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.05 -37.35 64.07 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.035 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -49.0 -44.33 41.09 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.875 1.27 . . . . 0.0 114.059 172.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.42 91.09 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.266 0.555 . . . . 0.0 110.963 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' HB3' HD11 ' A' ' 21' ' ' LEU . 5.3 mt -99.64 11.95 37.84 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.456 1.503 . . . . 0.0 111.688 -178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -79.36 -11.83 59.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.122 1.769 . . . . 0.0 111.773 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.89 -37.51 14.26 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.33 1.052 . . . . 0.0 111.226 171.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.85 46.39 0.98 Allowed 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 126.368 1.867 . . . . 0.0 111.396 175.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.27 139.61 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 128.284 2.634 . . . . 0.0 115.754 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.85 -37.33 15.93 Favored 'Trans proline' 0 CA--C 1.537 0.658 0 O-C-N 119.126 -1.039 . . . . 0.0 111.577 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.5 -21.14 53.2 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.39 -40.78 77.18 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.4 -0.812 . . . . 0.0 110.606 176.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -64.41 -51.25 64.13 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-O 118.683 -0.675 . . . . 0.0 110.675 176.233 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -52.94 -38.77 62.3 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.717 0.807 . . . . 0.0 111.857 177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -57.5 -57.4 12.83 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.034 0.933 . . . . 0.0 112.062 173.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -59.27 -27.26 65.66 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.049 0.94 . . . . 0.0 112.668 174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -47.76 54.66 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 126.388 1.875 . . . . 0.0 112.32 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.89 98.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.415 1.007 . . . . 0.0 111.282 177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 m -67.86 -7.15 25.65 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 173.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.8 mt -103.36 -41.83 5.9 Favored 'General case' 0 C--O 1.221 -0.443 0 C-N-CA 125.473 1.509 . . . . 0.0 111.463 171.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.15 -45.57 79.58 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 120.145 1.339 . . . . 0.0 111.441 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -29.48 69.02 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.39 0.431 . . . . 0.0 112.13 174.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.9 -55.06 21.55 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.945 1.298 . . . . 0.0 110.22 172.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.83 -22.11 58.05 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -48.49 -32.1 7.35 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.767 1.627 . . . . 0.0 113.089 168.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.22 42.64 2.79 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 126.742 2.017 . . . . 0.0 111.115 175.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 36' ' ' THR . 61.0 t -131.39 -107.0 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.802 1.241 . . . . 0.0 110.581 175.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.2 p -56.87 -34.88 68.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.12 1.768 . . . . 0.0 112.539 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -61.44 -13.22 18.71 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.014 1.726 . . . . 0.0 114.865 171.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -129.48 15.21 6.04 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.544 1.938 . . . . 0.0 113.49 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 65.54 24.23 11.8 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 -175.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 58.59 -81.15 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.835 2.054 . . . . 0.0 113.007 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.668 0 O-C-N 119.26 -2.15 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.8 22.5 6.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.822 1.249 . . . . 0.0 112.094 176.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -60.22 -31.67 70.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.563 1.545 . . . . 0.0 113.334 176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.0 ttt85 -60.35 -35.32 75.39 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 121.312 -0.868 . . . . 0.0 112.462 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -61.86 -45.54 93.33 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.349 0.66 . . . . 0.0 110.897 177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -39.31 66.14 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.404 1.082 . . . . 0.0 112.184 172.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.78 -38.29 88.64 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.507 0.723 . . . . 0.0 112.307 176.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -73.87 -14.12 61.02 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.967 0.907 . . . . 0.0 113.264 172.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.21 -50.62 6.48 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 126.728 2.011 . . . . 0.0 110.938 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -27.27 62.72 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 122.972 0.509 . . . . 0.0 111.843 177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -54.51 -27.72 40.05 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.944 1.298 . . . . 0.0 114.288 169.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.46 -42.82 21.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.325 1.05 . . . . 0.0 110.615 174.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.3 -28.41 65.17 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.4 -0.812 . . . . 0.0 112.361 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -52.67 -17.84 1.5 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 127.149 2.179 . . . . 0.0 113.393 174.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -50.1 -40.72 46.68 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.811 1.244 . . . . 0.0 112.728 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.58 147.88 23.04 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.106 0.479 . . . . 0.0 110.254 166.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -51.24 112.22 2.89 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 124.408 1.083 . . . . 0.0 112.178 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -67.39 -17.34 49.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.008 2.472 . . . . 0.0 112.544 -175.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -87.58 -21.14 25.55 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 112.751 173.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.56 -41.17 55.54 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.781 0.719 . . . . 0.0 109.862 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -52.95 61.87 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.711 -0.662 . . . . 0.0 111.352 178.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -51.83 -38.23 55.01 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.756 0.822 . . . . 0.0 112.222 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -58.64 7.6 Favored 'General case' 0 C--N 1.341 0.229 0 C-N-CA 124.034 0.934 . . . . 0.0 111.603 173.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -57.2 -29.86 64.06 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.345 1.058 . . . . 0.0 112.385 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -64.06 -50.33 68.8 Favored 'General case' 0 C--O 1.225 -0.207 0 C-N-CA 127.165 2.186 . . . . 0.0 111.888 177.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.81 98.0 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.41 1.004 . . . . 0.0 111.73 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -68.38 -5.23 17.78 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 171.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.0 mt -105.31 -39.57 6.12 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 125.009 1.324 . . . . 0.0 111.458 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -57.53 12.48 Favored 'General case' 0 N--CA 1.462 0.142 0 C-N-CA 124.737 1.215 . . . . 0.0 110.204 176.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -62.83 -31.7 72.76 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.504 0.722 . . . . 0.0 112.208 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.532 ' CE1' HG21 ' A' ' 35' ' ' VAL . 14.6 t80 -65.14 -66.65 0.52 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.809 172.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -30.21 32.03 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.334 1.054 . . . . 0.0 112.513 -177.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -47.11 -31.1 3.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 128.062 2.545 . . . . 0.0 113.347 172.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 pp -140.71 5.51 1.99 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.761 1.224 . . . . 0.0 114.162 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.532 HG21 ' CE1' ' A' ' 31' ' ' TYR . 22.7 t -100.22 -21.48 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.962 1.705 . . . . 0.0 112.579 175.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.89 -22.48 11.84 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.461 1.104 . . . . 0.0 111.683 -175.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.0 -8.75 3.46 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 126.976 2.111 . . . . 0.0 114.426 172.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -138.01 6.08 2.61 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.774 2.029 . . . . 0.0 112.768 176.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.2 76.58 0.62 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.056 0.943 . . . . 0.0 111.481 -176.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -54.19 163.74 0.77 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.54 1.536 . . . . 0.0 113.908 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.523 0 O-C-N 119.19 -2.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 117.764 -1.112 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 57.81 63.21 1.86 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.806 1.642 . . . . 0.0 111.791 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.47 -27.38 62.44 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -59.22 -53.25 60.43 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.922 0.889 . . . . 0.0 112.548 175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -59.44 -44.92 92.82 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.231 0.613 . . . . 0.0 109.949 175.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.4 tp -56.77 -46.6 81.36 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.61 0.764 . . . . 0.0 111.592 174.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.77 -40.88 85.24 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.277 178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -71.35 -8.15 51.82 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 173.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -53.01 3.84 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.928 2.091 . . . . 0.0 110.696 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -60.75 -31.67 70.99 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.088 0.555 . . . . 0.0 111.176 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -51.44 -36.18 42.82 Favored 'General case' 0 C--N 1.347 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 112.44 170.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 -52.11 10.54 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.65 174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.3 mt -51.37 -26.05 7.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.004 1.321 . . . . 0.0 114.097 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -52.91 -16.84 1.14 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.053 1.741 . . . . 0.0 115.068 165.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' CG ' HD23 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -45.8 -32.97 2.82 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.48 1.912 . . . . 0.0 113.592 173.173 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.445 HD23 ' CG ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -106.45 157.41 17.66 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.104 1.362 . . . . 0.0 111.272 166.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 m -49.14 115.65 4.88 Favored Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 125.315 1.446 . . . . 0.0 112.559 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -67.64 -11.31 31.69 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.247 2.631 . . . . 0.0 113.275 -177.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.37 -18.69 21.33 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.487 1.515 . . . . 0.0 111.99 173.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -83.27 -27.46 29.84 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.626 -1.297 . . . . 0.0 111.691 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.08 -50.44 19.58 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.213 0.605 . . . . 0.0 111.574 174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -53.39 -32.16 48.24 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.079 0.552 . . . . 0.0 111.582 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -57.19 10.9 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 123.764 0.826 . . . . 0.0 112.472 173.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -61.9 -24.77 67.16 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.552 0.741 . . . . 0.0 112.349 175.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -48.98 25.6 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.416 1.487 . . . . 0.0 111.925 176.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.98 91.91 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.642 1.177 . . . . 0.0 111.215 178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -68.03 -5.18 16.13 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 171.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.3 mt -103.55 -28.87 11.48 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 111.957 167.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -46.96 32.53 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 125.139 1.375 . . . . 0.0 111.535 179.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -55.93 -32.18 63.57 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.417 0.687 . . . . 0.0 111.792 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -58.94 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.717 0.807 . . . . 0.0 110.795 169.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 pp -52.39 -14.42 0.47 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.024 1.33 . . . . 0.0 114.567 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -52.15 -47.82 65.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.938 1.295 . . . . 0.0 112.565 164.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.94 -28.98 7.52 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.04 0.936 . . . . 0.0 111.523 179.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.76 -5.59 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 127.662 2.385 . . . . 0.0 111.655 178.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -44.91 -21.34 0.05 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.87 2.068 . . . . 0.0 113.93 167.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 82.0 37.71 0.06 Allowed 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 126.05 1.74 . . . . 0.0 110.516 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 60.04 14.44 4.39 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.074 1.349 . . . . 0.0 113.38 -170.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.45 23.28 1.64 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.484 1.514 . . . . 0.0 114.054 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -78.01 -159.89 0.18 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.82 2.048 . . . . 0.0 112.548 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.561 0 O-C-N 117.644 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 16.3 p90 . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 52.29 41.45 30.46 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.293 1.437 . . . . 0.0 113.493 178.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.24 -34.52 76.38 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.017 -1.052 . . . . 0.0 112.979 -178.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -55.4 -45.98 76.64 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.432 0.693 . . . . 0.0 111.579 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.31 -43.72 90.16 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 123.616 0.766 . . . . 0.0 111.512 175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.35 -39.59 60.91 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.281 0.632 . . . . 0.0 111.419 174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.28 -37.61 88.11 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 174.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -76.06 -6.53 51.51 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.385 1.474 . . . . 0.0 113.323 171.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.49 -50.06 5.15 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 126.366 1.866 . . . . 0.0 110.75 176.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.18 -28.66 63.01 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.149 0.58 . . . . 0.0 112.069 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 -50.71 -37.98 44.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.14 1.376 . . . . 0.0 113.756 169.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.14 -39.67 14.36 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 123.34 0.656 . . . . 0.0 110.769 174.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 42.2 mt -56.07 -29.58 60.75 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 120.15 1.341 . . . . 0.0 113.115 176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -57.64 -13.39 3.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.91 1.684 . . . . 0.0 114.653 168.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -48.17 -34.98 10.83 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.622 -1.299 . . . . 0.0 112.406 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.32 144.5 26.43 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.171 0.988 . . . . 0.0 108.848 173.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 t -46.94 114.14 2.7 Favored Pre-proline 0 CA--C 1.543 0.681 0 C-N-CA 123.761 0.824 . . . . 0.0 111.704 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -66.94 -8.9 23.04 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.345 2.03 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -97.13 -15.37 20.97 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.633 1.573 . . . . 0.0 112.471 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 -38.15 23.03 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.391 0.676 . . . . 0.0 111.05 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.21 -50.11 71.54 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 118.667 -0.682 . . . . 0.0 111.102 177.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -50.81 -39.04 51.96 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 112.185 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -50.19 73.21 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.028 0.931 . . . . 0.0 112.458 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -64.33 -25.75 68.18 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.369 1.067 . . . . 0.0 112.605 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -65.71 -47.2 76.15 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.989 1.716 . . . . 0.0 112.094 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.74 -42.15 96.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 118.878 0.763 . . . . 0.0 111.22 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 63.5 m -66.76 -10.93 52.42 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.432 1.493 . . . . 0.0 113.964 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.7 mt -102.94 -36.12 8.32 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.046 1.739 . . . . 0.0 111.765 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -58.54 -45.18 89.42 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 120.763 -1.21 . . . . 0.0 111.391 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.4 -27.9 65.69 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.694 0.628 . . . . 0.0 112.694 174.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -61.18 -57.92 10.47 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.24 1.016 . . . . 0.0 109.876 174.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.9 -23.41 66.3 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.86 0.864 . . . . 0.0 113.011 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -52.37 -34.03 45.9 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.166 0.986 . . . . 0.0 112.221 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.6 29.98 5.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.793 1.237 . . . . 0.0 111.847 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.5 t -132.24 -111.81 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 125.258 1.423 . . . . 0.0 108.279 -179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p -55.62 -34.16 64.63 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.616 1.967 . . . . 0.0 112.84 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.5 mtt85 -62.92 -13.95 40.75 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.181 1.393 . . . . 0.0 114.443 172.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.75 20.59 4.63 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.149 2.58 . . . . 0.0 112.08 178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.03 24.89 11.64 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.225 1.01 . . . . 0.0 113.227 -179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 13.8 p90 49.79 9.8 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.046 2.938 . . . . 0.0 115.837 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 119.109 -2.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.0 t80 . . . . . 0 N--CA 1.484 1.232 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.35 71.2 0.28 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.138 1.375 . . . . 0.0 110.996 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.29 -50.01 3.16 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.844 2.058 . . . . 0.0 110.735 177.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -35.11 64.14 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.1 -1.0 . . . . 0.0 112.527 176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.51 -33.62 32.43 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.45 0.7 . . . . 0.0 112.138 174.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 31.8 mt -72.52 -38.01 68.19 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.525 1.53 . . . . 0.0 110.742 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -40.45 95.83 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.591 -0.693 . . . . 0.0 111.364 174.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HE2' HH21 ' A' ' 11' ' ' ARG . 0.1 OUTLIER -71.93 -7.76 50.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 171.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.88 -54.9 3.17 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 126.156 1.782 . . . . 0.0 110.452 176.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -54.77 -28.51 49.31 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 123.42 0.688 . . . . 0.0 110.669 176.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH21 ' HE2' ' A' ' 8' ' ' LYS . 8.5 ttm180 -54.2 -45.5 72.2 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.69 -40.26 69.66 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.27 0.486 . . . . 0.0 110.442 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD12 HD11 ' A' ' 21' ' ' LEU . 4.6 mm? -67.08 -23.2 65.83 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.842 0.857 . . . . 0.0 112.964 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 tttm -60.61 -8.84 3.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.109 2.164 . . . . 0.0 113.105 170.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -46.7 -40.5 13.41 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.33 1.052 . . . . 0.0 112.562 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.38 41.5 1.99 Allowed 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 125.339 1.456 . . . . 0.0 110.737 175.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 54.09 152.86 0.05 OUTLIER Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 128.4 2.68 . . . . 0.0 115.614 -175.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -73.23 -38.74 2.51 Favored 'Trans proline' 0 CA--C 1.539 0.737 0 C-N-CA 121.129 1.22 . . . . 0.0 111.304 178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -72.02 -41.52 67.46 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.921 -0.487 . . . . 0.0 111.65 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -30.6 69.71 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 118.836 -0.602 . . . . 0.0 111.479 178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 13' ' ' LEU . 1.5 mt -68.1 -53.03 28.41 Favored 'General case' 0 C--N 1.342 0.261 0 CA-C-N 119.057 0.844 . . . . 0.0 112.491 175.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.98 -34.6 72.02 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 120.892 0.377 . . . . 0.0 110.833 175.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -38.12 89.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.408 0.683 . . . . 0.0 112.585 172.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -29.77 70.93 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 124.587 1.155 . . . . 0.0 111.808 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -43.9 91.63 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 126.044 1.738 . . . . 0.0 112.414 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.12 87.37 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.9 1.227 . . . . 0.0 111.591 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.47 -18.64 41.51 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.983 1.313 . . . . 0.0 113.606 171.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' C ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -90.19 -51.22 5.56 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.922 1.289 . . . . 0.0 110.193 172.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HA ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -53.27 -42.11 66.21 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.139 1.376 . . . . 0.0 111.149 -173.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.78 68.03 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.162 172.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.92 -53.1 61.46 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.958 1.303 . . . . 0.0 113.132 176.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD12 ' HB2' ' A' ' 37' ' ' ARG . 0.1 OUTLIER -45.52 -38.82 6.71 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.746 2.019 . . . . 0.0 110.58 176.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -53.5 -30.63 42.24 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 126.714 2.006 . . . . 0.0 113.983 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.47 28.21 8.96 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.316 1.446 . . . . 0.0 112.908 174.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 36' ' ' THR . 91.3 t -139.82 -109.82 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.835 1.654 . . . . 0.0 108.834 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -68.86 -20.26 64.27 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.428 1.491 . . . . 0.0 112.307 -175.103 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -59.23 -20.88 57.86 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.73 1.212 . . . . 0.0 113.132 172.139 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -124.89 17.6 8.59 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.844 1.257 . . . . 0.0 112.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.9 mtm-85 62.41 25.4 15.15 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 56.87 -98.04 0.08 Allowed 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.547 1.539 . . . . 0.0 112.558 177.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.15 -2.218 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 117.407 -1.282 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.62 -26.73 5.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.604 1.562 . . . . 0.0 112.67 -179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -52.72 -55.87 19.59 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.329 1.451 . . . . 0.0 111.686 170.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -54.92 133.6 48.17 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 119.746 1.157 . . . . 0.0 109.847 179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 88.33 -46.34 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.621 2.368 . . . . 0.0 110.407 -174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.03 -33.52 57.41 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.23 1.412 . . . . 0.0 112.045 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.77 -35.49 81.25 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 119.812 -1.805 . . . . 0.0 111.727 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 mmtm -75.21 -7.05 52.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.8 1.64 . . . . 0.0 113.624 169.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -52.22 3.64 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.022 1.729 . . . . 0.0 110.683 176.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -57.23 -31.7 65.78 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 123.731 0.813 . . . . 0.0 111.081 175.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -53.3 -45.79 69.1 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.24 -42.97 44.08 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.761 177.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.71 -35.33 72.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.206 0.912 . . . . 0.0 112.913 176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -59.8 -13.33 9.96 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 126.5 1.92 . . . . 0.0 113.617 171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -46.09 -43.03 14.39 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.549 1.068 . . . . 0.0 111.094 171.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.51 144.54 26.67 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.5 t -48.25 117.09 5.44 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 122.799 0.439 . . . . 0.0 111.388 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -69.03 -13.64 36.89 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 122.353 2.035 . . . . 0.0 112.479 -179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -89.49 -29.91 18.64 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.512 1.125 . . . . 0.0 111.78 174.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.88 -38.89 76.51 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 121.57 -0.706 . . . . 0.0 111.303 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -51.32 67.57 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-O 118.758 -0.639 . . . . 0.0 110.992 175.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -53.35 -38.55 63.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.723 0.809 . . . . 0.0 112.225 177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -55.65 29.8 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 123.916 0.886 . . . . 0.0 112.071 175.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -59.39 -25.4 64.24 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 172.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -66.82 -48.29 69.41 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 126.252 1.821 . . . . 0.0 111.512 177.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.74 95.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.029 0.831 . . . . 0.0 111.424 176.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -13.67 35.79 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 172.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -100.36 -35.4 9.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.131 1.372 . . . . 0.0 111.676 173.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.52 -40.65 56.73 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 125.314 1.446 . . . . 0.0 113.055 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -57.73 -34.29 69.33 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 123.503 0.721 . . . . 0.0 111.526 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.68 -62.45 1.86 Allowed 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 123.995 0.918 . . . . 0.0 109.959 167.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.2 mt -49.03 -29.92 5.55 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 117.554 -1.212 . . . . 0.0 113.456 -172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -39.61 -42.47 1.19 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.072 2.149 . . . . 0.0 113.504 167.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.15 14.57 3.04 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.325 1.45 . . . . 0.0 114.058 175.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' CE2' ' A' ' 40' ' ' TYR . 17.4 t -98.56 -20.47 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.784 1.634 . . . . 0.0 112.311 176.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.5 p -103.93 -33.87 8.69 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.674 -1.266 . . . . 0.0 112.951 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -59.15 -19.46 45.15 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.575 1.55 . . . . 0.0 114.812 173.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -103.64 2.57 33.42 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.018 1.327 . . . . 0.0 114.215 175.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 47.23 59.65 3.93 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.881 1.272 . . . . 0.0 111.067 -173.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.467 ' CE2' HG22 ' A' ' 35' ' ' VAL . 3.2 m-85 -53.67 -15.24 1.12 Allowed 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 O-C-N 119.131 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.4 p90 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.471 0.177 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp -76.91 52.83 0.88 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.243 -1.536 . . . . 0.0 111.592 -178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.67 -58.52 2.58 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 126.501 1.92 . . . . 0.0 110.542 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -51.55 -48.78 62.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.333 0.969 . . . . 0.0 111.88 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -56.68 -51.44 68.77 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 125.032 1.333 . . . . 0.0 111.942 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.1 tp -55.71 -47.51 76.73 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.907 1.283 . . . . 0.0 111.631 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -61.05 -40.71 94.67 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.553 1.141 . . . . 0.0 111.543 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -10.96 60.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.215 1.406 . . . . 0.0 114.397 169.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tp -90.49 -56.24 3.27 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 126.17 1.788 . . . . 0.0 110.218 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -54.95 -34.85 63.65 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.839 0.855 . . . . 0.0 110.533 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -43.72 97.73 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.07 -45.01 17.14 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.185 0.594 . . . . 0.0 110.576 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -40.1 65.79 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.969 -1.082 . . . . 0.0 111.684 171.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -54.95 -13.28 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.966 1.306 . . . . 0.0 114.243 172.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.4 mmtm -51.22 -32.6 24.52 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.941 1.246 . . . . 0.0 112.781 169.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.11 143.92 27.47 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 169.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -48.37 111.98 2.07 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 124.565 1.146 . . . . 0.0 111.93 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.76 -14.34 43.47 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.871 -176.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.05 -20.57 24.19 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.403 1.481 . . . . 0.0 112.593 173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -78.77 -38.59 38.19 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.885 -1.135 . . . . 0.0 110.479 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.06 -53.0 61.66 Favored 'General case' 0 C--O 1.224 -0.281 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.964 177.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -50.49 -38.13 42.48 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.632 1.173 . . . . 0.0 112.377 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt180 -61.67 -56.08 23.62 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.082 0.953 . . . . 0.0 112.098 175.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.91 -28.19 65.97 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.507 0.723 . . . . 0.0 112.417 171.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.41 -45.0 73.82 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 126.104 1.762 . . . . 0.0 111.765 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.01 1.277 . . . . 0.0 112.102 175.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.4 m -67.96 -9.19 43.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 173.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -103.36 -35.61 8.33 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 125.151 1.38 . . . . 0.0 112.069 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -62.37 -42.14 99.18 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.545 1.538 . . . . 0.0 111.85 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.78 -24.05 61.68 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 172.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CE2' HG11 ' A' ' 35' ' ' VAL . 2.4 t80 -71.44 -65.77 0.71 Allowed 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.717 1.207 . . . . 0.0 109.851 175.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 pp -51.54 -21.41 2.47 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.266 1.426 . . . . 0.0 113.838 178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -42.16 -48.09 4.74 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.945 1.698 . . . . 0.0 112.428 165.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -127.2 6.46 6.45 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 31' ' ' TYR . 41.0 t -114.56 -3.61 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.7 2.0 . . . . 0.0 111.3 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.772 ' HG1' ' N ' ' A' ' 41' ' ' NH2 . 1.0 OUTLIER -40.61 -34.3 0.35 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.321 2.248 . . . . 0.0 113.505 167.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -46.39 -24.97 0.57 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.204 2.201 . . . . 0.0 114.642 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.1 8.39 2.72 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.75 2.02 . . . . 0.0 113.279 174.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -142.44 63.22 1.4 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 118.718 0.69 . . . . 0.0 111.373 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 62.93 -61.06 0.13 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 126.178 1.791 . . . . 0.0 112.938 177.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . 0.772 ' N ' ' HG1' ' A' ' 36' ' ' THR . . . . . . . . 0 C--N 1.315 -0.891 0 O-C-N 120.697 -1.252 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 28.9 p90 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 117.378 -1.296 . . . . 0.0 108.068 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 62.33 58.05 1.83 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.757 1.223 . . . . 0.0 110.047 175.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -128.98 -64.88 0.89 Allowed 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 123.967 0.907 . . . . 0.0 110.377 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.6 ttt-85 -76.57 -40.68 48.94 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.929 0.714 . . . . 0.0 112.929 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -51.22 -33.08 26.34 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.426 0.691 . . . . 0.0 111.421 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.18 -40.99 95.02 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 125.454 1.502 . . . . 0.0 111.695 177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -63.63 -39.06 93.4 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 122.485 0.314 . . . . 0.0 111.136 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -4.62 37.44 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 172.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.41 -51.52 3.94 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 127.015 2.126 . . . . 0.0 110.326 178.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.92 -27.96 54.6 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.134 0.574 . . . . 0.0 111.604 175.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.84 -46.58 74.63 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 123.428 0.691 . . . . 0.0 112.643 172.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -24.17 67.56 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.029 0.932 . . . . 0.0 112.716 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.84 -54.14 5.86 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.172 1.389 . . . . 0.0 111.687 171.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -59.25 -15.93 18.4 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.031 0.932 . . . . 0.0 113.063 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.32 -43.26 10.62 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 125.637 1.575 . . . . 0.0 112.646 174.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.4 mp -88.87 137.37 32.38 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.262 1.025 . . . . 0.0 109.127 172.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -40.93 111.07 0.76 Allowed Pre-proline 0 CA--C 1.539 0.536 0 C-N-CA 125.167 1.387 . . . . 0.0 112.113 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -67.74 -6.02 15.77 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.222 2.615 . . . . 0.0 112.656 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.21 -18.12 17.79 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.472 1.509 . . . . 0.0 112.52 173.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -83.14 -38.48 22.33 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 121.302 -0.874 . . . . 0.0 110.935 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -61.17 -54.72 40.84 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 117.23 -1.367 . . . . 0.0 110.34 175.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -44.75 -39.78 5.49 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.386 1.074 . . . . 0.0 112.794 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -56.24 -62.75 1.5 Allowed 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 124.076 0.95 . . . . 0.0 112.532 176.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -60.89 -22.62 64.49 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.544 1.138 . . . . 0.0 112.655 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -45.09 56.5 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 126.198 1.799 . . . . 0.0 111.491 177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.91 -42.31 97.45 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.633 1.106 . . . . 0.0 110.602 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -14.28 38.7 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 172.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.7 mt -101.6 -46.23 5.03 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.413 1.485 . . . . 0.0 111.786 175.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.4 ttp-105 -60.52 -41.38 94.27 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 125.037 1.335 . . . . 0.0 111.35 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -59.96 -36.79 77.86 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 123.139 0.575 . . . . 0.0 111.775 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.37 -61.06 2.88 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.326 -0.845 . . . . 0.0 109.081 171.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.46 -25.81 4.4 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.793 0.837 . . . . 0.0 112.544 -174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -41.82 -43.47 2.99 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 166.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.38 13.17 3.51 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.135 1.374 . . . . 0.0 114.131 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 t -98.65 -19.15 6.04 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 124.854 1.261 . . . . 0.0 111.783 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 p -97.0 -33.19 11.64 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 120.595 -1.316 . . . . 0.0 112.461 176.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -62.16 -14.74 40.46 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.393 1.077 . . . . 0.0 113.599 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -120.09 19.41 12.27 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.057 2.143 . . . . 0.0 112.222 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 54.55 30.2 12.67 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.898 0.879 . . . . 0.0 113.281 177.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 54.76 26.93 8.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.36 1.464 . . . . 0.0 111.234 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 O-C-N 118.958 -2.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 117.727 -1.13 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tt 59.19 75.83 0.38 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.033 1.333 . . . . 0.0 111.567 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.33 -67.38 1.0 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.256 1.422 . . . . 0.0 109.39 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -44.24 91.67 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -54.18 -48.83 70.51 Favored 'General case' 0 C--O 1.225 -0.232 0 C-N-CA 124.118 0.967 . . . . 0.0 110.959 177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 6' ' ' LEU . 1.3 tp -57.26 -47.0 82.52 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 124.31 1.044 . . . . 0.0 110.585 173.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.55 -39.17 90.14 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -66.39 -26.92 67.48 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.625 1.17 . . . . 0.0 112.8 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.39 -52.77 8.58 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.049 1.74 . . . . 0.0 111.42 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.652 ' HA ' HD12 ' A' ' 13' ' ' LEU . 22.2 tt0 -58.16 -35.5 71.65 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.152 0.581 . . . . 0.0 111.001 176.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -55.19 35.33 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-O 116.927 -1.511 . . . . 0.0 111.252 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.74 -34.53 12.32 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.096 0.959 . . . . 0.0 113.172 -177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 10' ' ' GLU . 5.2 mt -62.46 -69.78 0.24 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.429 1.092 . . . . 0.0 111.824 173.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -57.96 -24.81 59.57 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.043 0.937 . . . . 0.0 112.979 177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.73 9.12 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.917 1.687 . . . . 0.0 112.388 175.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.67 41.59 3.47 Favored 'General case' 0 C--O 1.213 -0.83 0 C-N-CA 125.754 1.622 . . . . 0.0 111.265 174.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 59.88 137.86 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 126.676 1.99 . . . . 0.0 115.242 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -68.37 -36.83 14.83 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 121.442 1.428 . . . . 0.0 112.276 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.89 -11.72 59.92 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -38.52 19.17 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.266 1.027 . . . . 0.0 110.775 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -65.17 -49.36 70.12 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 121.739 -0.6 . . . . 0.0 110.81 177.318 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.6 -36.17 61.66 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.29 0.636 . . . . 0.0 112.143 175.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -57.64 -58.22 9.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.214 0.605 . . . . 0.0 110.879 175.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -61.5 -24.13 66.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.733 1.213 . . . . 0.0 112.605 176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -67.34 -46.03 74.64 Favored 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 125.478 1.511 . . . . 0.0 111.807 176.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.8 98.2 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.262 0.937 . . . . 0.0 111.105 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.4 m -62.9 -9.68 10.66 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.3 mt -104.89 -40.33 5.97 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.722 1.609 . . . . 0.0 111.846 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -66.57 -41.56 88.38 Favored 'General case' 0 N--CA 1.467 0.392 0 O-C-N 120.963 -1.086 . . . . 0.0 111.689 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -61.89 -30.96 71.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.106 0.562 . . . . 0.0 111.622 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.42 -61.02 2.84 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 117.959 -1.019 . . . . 0.0 109.695 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.7 mt -54.12 -22.37 10.93 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.854 1.207 . . . . 0.0 113.775 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.447 ' C ' HD23 ' A' ' 34' ' ' LEU . 9.0 t-20 -47.75 -38.23 15.04 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.907 1.283 . . . . 0.0 112.573 167.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.447 HD23 ' C ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -136.65 3.97 2.79 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 126.711 2.005 . . . . 0.0 113.066 -176.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.6 t -98.48 -17.09 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.793 2.037 . . . . 0.0 112.224 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.9 p -108.73 -38.95 5.5 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.201 0.91 . . . . 0.0 112.605 174.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -58.01 -12.62 3.49 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -134.78 8.47 3.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.721 1.608 . . . . 0.0 113.56 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -164.5 65.15 0.14 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.779 0.832 . . . . 0.0 112.649 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -155.08 -42.07 0.09 Allowed 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.899 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_